CID 65367538

3-carbamoyl-5-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClNO3S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)N
InChI
InChI=1S/C8H8ClNO3S/c1-5-2-6(8(10)11)4-7(3-5)14(9,12)13/h2-4H,1H3,(H2,10,11)
InChIKey
APOATSPUECMEHO-UHFFFAOYSA-N
Compound name
3-carbamoyl-5-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.99135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99863 147.2
[M+Na]+ 255.98057 158.6
[M+NH4]+ 251.02517 154.5
[M+K]+ 271.95451 152.1
[M-H]- 231.98407 147.8
[M+Na-2H]- 253.96602 151.9
[M]+ 232.99080 149.6
[M]- 232.99190 149.6
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

No patent data available for this compound.