CID 2466744

N-[4-(2-chloroacetyl)phenyl]-n-methylmethanesulfonamide

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
CN(C1=CC=C(C=C1)C(=O)CCl)S(=O)(=O)C
InChI
InChI=1S/C10H12ClNO3S/c1-12(16(2,14)15)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
InChIKey
SJHKTPIFTYDPOD-UHFFFAOYSA-N
Compound name
N-[4-(2-chloroacetyl)phenyl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.02264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02992 152.1
[M+Na]+ 284.01186 160.6
[M-H]- 260.01536 157.8
[M+NH4]+ 279.05646 170.6
[M+K]+ 299.98580 157.5
[M+H-H2O]+ 244.01990 147.0
[M+HCOO]- 306.02084 166.6
[M+CH3COO]- 320.03649 196.0
[M+Na-2H]- 281.99731 155.1
[M]+ 261.02209 158.5
[M]- 261.02319 158.5
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.