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

127
Patents

204.98451 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.99179 132.7
[M+Na]+ 227.97373 144.2
[M+NH4]+ 223.01833 139.7
[M+K]+ 243.94767 140.9
[M-H]- 203.97723 133.1
[M+Na-2H]- 225.95918 138.1
[M]+ 204.98396 134.6
[M]- 204.98506 134.6
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