CID 25323828

1049604-97-8

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
CN(C)C(=O)C1=CC(=CC=C1)NC(=O)CCl
InChI
InChI=1S/C11H13ClN2O2/c1-14(2)11(16)8-4-3-5-9(6-8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15)
InChIKey
CAPONPDCOFTECB-UHFFFAOYSA-N
Compound name
3-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06656 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.073836 152.5
[M+Na]+ 263.055778 159.3
[M-H]- 239.059284 157.5
[M+NH4]+ 258.100383 171.0
[M+K]+ 279.029718 157.1
[M+H-H2O]+ 223.063820 146.6
[M+HCOO]- 285.064761 173.3
[M+CH3COO]- 299.080411 198.2
[M+Na-2H]- 261.041226 155.8
[M]+ 240.06601142 155.5
[M]- 240.06710858 155.5
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.