CID 71351123

154628-01-0

Structural Information

Molecular Formula
C24H37F13
SMILES
CCCCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H37F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h2-18H2,1H3
InChIKey
UKFBBTCWDMDAGL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetracosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

572.26874 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.27602 207.5
[M+Na]+ 595.25796 212.3
[M-H]- 571.26146 203.6
[M+NH4]+ 590.30256 212.5
[M+K]+ 611.23190 221.5
[M+H-H2O]+ 555.26600 197.7
[M+HCOO]- 617.26694 223.3
[M+CH3COO]- 631.28259 256.6
[M+Na-2H]- 593.24341 199.5
[M]+ 572.26819 205.6
[M]- 572.26929 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe