CID 16226817

874622-79-4

Structural Information

Molecular Formula
C8H8ClNO3S
SMILES
CNC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey
BNMWGTKOMIXMRX-UHFFFAOYSA-N
Compound name
4-(methylcarbamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

232.99135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.998626 144.2
[M+Na]+ 255.980568 153.5
[M-H]- 231.984074 148.7
[M+NH4]+ 251.025173 163.2
[M+K]+ 271.954508 149.4
[M+H-H2O]+ 215.988610 139.7
[M+HCOO]- 277.989551 158.9
[M+CH3COO]- 292.005201 186.0
[M+Na-2H]- 253.966016 148.6
[M]+ 232.99080142 148.4
[M]- 232.99189858 148.4
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