CID 3854691

N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C(C=C1)NC(=O)CC#N)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKey
LVBZGBGZBJPXKO-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 147.9
[M+Na]+ 247.02447 158.7
[M-H]- 223.02797 151.4
[M+NH4]+ 242.06907 165.1
[M+K]+ 262.99841 154.5
[M+H-H2O]+ 207.03251 136.3
[M+HCOO]- 269.03345 165.0
[M+CH3COO]- 283.04910 201.2
[M+Na-2H]- 245.00992 152.2
[M]+ 224.03470 146.1
[M]- 224.03580 146.1
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.