CID 676598

2-chloro-n-(4-methylbenzenesulfonyl)acetamide

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCl
InChI
InChI=1S/C9H10ClNO3S/c1-7-2-4-8(5-3-7)15(13,14)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
OBAYRAODJNHZNW-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylphenyl)sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

247.00699 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01427 148.7
[M+Na]+ 269.99621 157.6
[M-H]- 245.99971 153.0
[M+NH4]+ 265.04081 167.2
[M+K]+ 285.97015 153.3
[M+H-H2O]+ 230.00425 144.0
[M+HCOO]- 292.00519 163.1
[M+CH3COO]- 306.02084 189.0
[M+Na-2H]- 267.98166 152.7
[M]+ 247.00644 153.3
[M]- 247.00754 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe