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]+ 233.998626 143.8
[M+Na]+ 255.980568 153.8
[M-H]- 231.984074 148.0
[M+NH4]+ 251.025173 162.8
[M+K]+ 271.954508 149.4
[M+H-H2O]+ 215.988610 139.6
[M+HCOO]- 277.989551 157.8
[M+CH3COO]- 292.005201 187.2
[M+Na-2H]- 253.966016 146.6
[M]+ 232.99080142 147.4
[M]- 232.99189858 147.4
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

No patent data available for this compound.