CID 2782212

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane

Structural Information

Molecular Formula
C24H33F17
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H33F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-16H2,1H3
InChIKey
FTECWCULPOFDJS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

644.2311 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.23838 211.7
[M+Na]+ 667.22032 215.7
[M-H]- 643.22382 212.2
[M+NH4]+ 662.26492 219.2
[M+K]+ 683.19426 228.1
[M+H-H2O]+ 627.22836 199.7
[M+HCOO]- 689.22930 227.8
[M+CH3COO]- 703.24495 265.5
[M+Na-2H]- 665.20577 205.4
[M]+ 644.23055 209.7
[M]- 644.23165 209.7
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

patents stripe