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

425
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 142.1
[M+Na]+ 257.95983 155.1
[M+NH4]+ 253.00443 149.9
[M+K]+ 273.93377 150.5
[M-H]- 233.96333 143.9
[M+Na-2H]- 255.94528 148.0
[M]+ 234.97006 145.1
[M]- 234.97116 145.1
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