CID 71756217

1199262-21-9

Structural Information

Molecular Formula
C11H4F5NO3S
SMILES
C1=CC=NC(=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C11H4F5NO3S/c12-6-7(13)9(15)11(10(16)8(6)14)20-21(18,19)5-3-1-2-4-17-5/h1-4H
InChIKey
HUNMTSONVAJCQW-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) pyridine-2-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.98322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99050 159.7
[M+Na]+ 347.97244 172.8
[M-H]- 323.97594 160.1
[M+NH4]+ 343.01704 173.3
[M+K]+ 363.94638 167.1
[M+H-H2O]+ 307.98048 148.0
[M+HCOO]- 369.98142 172.4
[M+CH3COO]- 383.99707 204.1
[M+Na-2H]- 345.95789 160.7
[M]+ 324.98267 159.0
[M]- 324.98377 159.0
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

No patent data available for this compound.