CID 86065731

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotricosane

Structural Information

Molecular Formula
C23H35F13
SMILES
CCCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H35F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h2-17H2,1H3
InChIKey
SUWPKSRVVDLYGW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotricosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

558.2531 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.26038 203.8
[M+Na]+ 581.24232 208.8
[M-H]- 557.24582 200.3
[M+NH4]+ 576.28692 208.8
[M+K]+ 597.21626 217.6
[M+H-H2O]+ 541.25036 194.2
[M+HCOO]- 603.25130 220.0
[M+CH3COO]- 617.26695 254.0
[M+Na-2H]- 579.22777 196.3
[M]+ 558.25255 202.0
[M]- 558.25365 202.0
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

patents stripe