CID 7404

4-nitrobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClNO4S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H
InChIKey
JXRGUPLJCCDGKG-UHFFFAOYSA-N
Compound name
4-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

11344
Patents

220.95496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96224 138.3
[M+Na]+ 243.94418 147.4
[M-H]- 219.94768 142.8
[M+NH4]+ 238.98878 157.0
[M+K]+ 259.91812 139.9
[M+H-H2O]+ 203.95222 138.7
[M+HCOO]- 265.95316 154.3
[M+CH3COO]- 279.96881 174.7
[M+Na-2H]- 241.92963 145.8
[M]+ 220.95441 140.7
[M]- 220.95551 140.7
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.