CID 9449819

3-(2-chloroacetamido)-n-ethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06656 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.073836 152.7
[M+Na]+ 263.055778 159.4
[M-H]- 239.059284 156.2
[M+NH4]+ 258.100383 170.6
[M+K]+ 279.029718 155.7
[M+H-H2O]+ 223.063820 147.0
[M+HCOO]- 285.064761 173.0
[M+CH3COO]- 299.080411 194.8
[M+Na-2H]- 261.041226 156.7
[M]+ 240.06601142 154.4
[M]- 240.06710858 154.4
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.