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]+ 1379.0840 304.0
[M+Na]+ 1401.0659 304.1
[M-H]- 1377.0694 314.5
[M+NH4]+ 1396.1105 311.5
[M+K]+ 1417.0399 315.7
[M+H-H2O]+ 1361.0740 295.9
[M+HCOO]- 1423.0749 310.9
[M+CH3COO]- 1437.0906 276.0
[M+Na-2H]- 1399.0514 306.2
[M]+ 1378.0762 292.2
[M]- 1378.0772 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.