CID 116629

64488-52-4

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C9H10ClNO3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,1H3
InChIKey
DRQKKEYKSSAVTO-UHFFFAOYSA-N
Compound name
N-[4-(2-chloroacetyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

247.00699 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.014266 148.5
[M+Na]+ 269.996208 157.3
[M-H]- 245.999714 152.7
[M+NH4]+ 265.040813 166.9
[M+K]+ 285.970148 152.9
[M+H-H2O]+ 230.004250 143.7
[M+HCOO]- 292.005191 162.8
[M+CH3COO]- 306.020841 189.6
[M+Na-2H]- 267.981656 152.5
[M]+ 247.00644142 153.1
[M]- 247.00753858 153.1
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