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 152.7
[M+Na]+ 260.01972 162.4
[M-H]- 236.02322 158.1
[M+NH4]+ 255.06432 169.8
[M+K]+ 275.99366 159.7
[M+H-H2O]+ 220.02776 139.8
[M+HCOO]- 282.02870 172.4
[M+CH3COO]- 296.04435 208.7
[M+Na-2H]- 258.00517 157.3
[M]+ 237.02995 151.9
[M]- 237.03105 151.9
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