CID 188246

4-nitrobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H4FNO4S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)F
InChI
InChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H
InChIKey
HRLAPUHJWRZEIC-UHFFFAOYSA-N
Compound name
4-nitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

530
Patents

204.98451 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.991786 133.7
[M+Na]+ 227.973728 142.6
[M-H]- 203.977234 136.9
[M+NH4]+ 223.018333 152.2
[M+K]+ 243.947668 136.1
[M+H-H2O]+ 187.981770 132.0
[M+HCOO]- 249.982711 153.2
[M+CH3COO]- 263.998361 173.6
[M+Na-2H]- 225.959176 141.3
[M]+ 204.98396142 133.1
[M]- 204.98505858 133.1
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