CID 43230

((p-chlorophenyl)azo)cyanoacetic acid methyl ester

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
COC(=O)C(C#N)N=NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H8ClN3O2/c1-16-10(15)9(6-12)14-13-8-4-2-7(11)3-5-8/h2-5,9H,1H3
InChIKey
KZUCEIVZTJLBSQ-UHFFFAOYSA-N
Compound name
methyl 2-[(4-chlorophenyl)diazenyl]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.0305 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 151.1
[M+Na]+ 260.01972 162.1
[M+NH4]+ 255.06432 155.2
[M+K]+ 275.99366 153.1
[M-H]- 236.02322 146.4
[M+Na-2H]- 258.00517 155.0
[M]+ 237.02995 150.6
[M]- 237.03105 150.6
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

patents stripe