CID 3017639

Tripentacontafluoro-26-iodohexacosane

Structural Information

Molecular Formula
C26F53I
SMILES
C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(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)(F)F
InChI
InChI=1S/C26F53I/c27-1(28,3(31,32)5(35,36)7(39,40)9(43,44)11(47,48)13(51,52)15(55,56)17(59,60)19(63,64)21(67,68)23(71,72)25(75,76)77)2(29,30)4(33,34)6(37,38)8(41,42)10(45,46)12(49,50)14(53,54)16(57,58)18(61,62)20(65,66)22(69,70)24(73,74)26(78,79)80
InChIKey
JKPQYAMTJKRMMG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontafluoro-26-iodohexacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1445.8198 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1446.8271 316.9
[M+Na]+ 1468.8090 317.3
[M-H]- 1444.8125 326.9
[M+NH4]+ 1463.8536 323.1
[M+K]+ 1484.7830 326.2
[M+H-H2O]+ 1428.8171 310.4
[M+HCOO]- 1490.8180 322.8
[M+CH3COO]- 1504.8337 269.4
[M+Na-2H]- 1466.7945 319.1
[M]+ 1445.8193 304.0
[M]- 1445.8203 304.0
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.