CID 4305447

(2-nitrophenyl)methanesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

484
Patents

234.97061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.977886 143.1
[M+Na]+ 257.959828 151.7
[M-H]- 233.963334 147.4
[M+NH4]+ 253.004433 161.2
[M+K]+ 273.933768 144.0
[M+H-H2O]+ 217.967870 143.3
[M+HCOO]- 279.968811 158.7
[M+CH3COO]- 293.984461 177.8
[M+Na-2H]- 255.945276 150.1
[M]+ 234.97006142 145.8
[M]- 234.97115858 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

No literature data available for this compound.

Patent stripe

patents stripe