CID 2794642

(4-nitrophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
C1=CC(=CC=C1CS(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey
CAXRPEAFHWDFTD-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

234.97061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 143.1
[M+Na]+ 257.95983 151.7
[M-H]- 233.96333 147.4
[M+NH4]+ 253.00443 161.2
[M+K]+ 273.93377 144.0
[M+H-H2O]+ 217.96787 143.3
[M+HCOO]- 279.96881 158.7
[M+CH3COO]- 293.98446 177.8
[M+Na-2H]- 255.94528 150.1
[M]+ 234.97006 145.8
[M]- 234.97116 145.8
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