CID 138396328

Dtxsid00895534

Structural Information

Molecular Formula
C34H20F50
SMILES
C(CCCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C34H20F50/c35-11(36,13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)23(59,60)25(63,64)27(67,68)29(71,72)31(75,76)33(79,80)81)9-7-5-3-1-2-4-6-8-10-12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(57,58)24(61,62)26(65,66)28(69,70)30(73,74)32(77,78)34(82,83)84/h1-10H2
InChIKey
PFAVUDZZGGYFMU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,33,33,34,34,34-pentacontafluorotetratriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1378.0767 Da
Monoisotopic Mass

21.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1379.083976 304.0
[M+Na]+ 1401.065918 304.1
[M-H]- 1377.069424 314.5
[M+NH4]+ 1396.110523 311.5
[M+K]+ 1417.039858 315.7
[M+H-H2O]+ 1361.073960 295.9
[M+HCOO]- 1423.074901 310.9
[M+CH3COO]- 1437.090551 276.0
[M+Na-2H]- 1399.051366 306.2
[M]+ 1378.07615142 292.2
[M]- 1378.07724858 292.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.