CID 16227027

885526-86-3

Structural Information

Molecular Formula
C7H6ClNO3S
SMILES
C1=CC(=CC=C1C(=O)N)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
YWMSSKBMOFPBDM-UHFFFAOYSA-N
Compound name
4-carbamoylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5583
Patents

218.9757 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.982976 139.9
[M+Na]+ 241.964918 149.6
[M-H]- 217.968424 144.0
[M+NH4]+ 237.009523 159.2
[M+K]+ 257.938858 145.3
[M+H-H2O]+ 201.972960 135.6
[M+HCOO]- 263.973901 154.3
[M+CH3COO]- 277.989551 183.0
[M+Na-2H]- 239.950366 143.8
[M]+ 218.97515142 142.8
[M]- 218.97624858 142.8
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