CID 212834

25061-59-0

Structural Information

Molecular Formula
C13H7F15N
SMILES
C1=CC=[N+](C=C1)CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H7F15N/c14-7(15,6-29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h1-5H,6H2/q+1
InChIKey
ZOPSQGIYHAQSLS-UHFFFAOYSA-N
Compound name
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

462.0339 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.04118 189.1
[M+Na]+ 485.02312 198.3
[M-H]- 461.02662 175.6
[M+NH4]+ 480.06772 195.2
[M+K]+ 500.99706 188.3
[M+H-H2O]+ 445.03116 174.8
[M+HCOO]- 507.03210 184.6
[M+CH3COO]- 521.04775 225.3
[M+Na-2H]- 483.00857 195.7
[M]+ 462.03335 165.2
[M]- 462.03445 165.2
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.