CID 98452394

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotricosane

Structural Information

Molecular Formula
C23H33F15
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H33F15/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-16H2,1H3
InChIKey
UNLQLBOSUFWFJC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotricosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

594.23425 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.24153 205.8
[M+Na]+ 617.22347 210.3
[M-H]- 593.22697 204.5
[M+NH4]+ 612.26807 212.2
[M+K]+ 633.19741 220.9
[M+H-H2O]+ 577.23151 195.0
[M+HCOO]- 639.23245 222.2
[M+CH3COO]- 653.24810 258.8
[M+Na-2H]- 615.20892 199.1
[M]+ 594.23370 203.9
[M]- 594.23480 203.9
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