CID 9797358

66505-80-4

Structural Information

Molecular Formula
C14H10Cl2N2O3
SMILES
C1=CC=C(C(=C1)CC(=O)O)N(C2=C(C=CC=C2Cl)Cl)N=O
InChI
InChI=1S/C14H10Cl2N2O3/c15-10-5-3-6-11(16)14(10)18(17-21)12-7-2-1-4-9(12)8-13(19)20/h1-7H,8H2,(H,19,20)
InChIKey
MRJVSFHDJGEONX-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloro-N-nitrosoanilino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.00684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.014116 167.7
[M+Na]+ 346.996058 176.7
[M-H]- 322.999564 175.6
[M+NH4]+ 342.040663 183.2
[M+K]+ 362.969998 172.2
[M+H-H2O]+ 307.004100 161.3
[M+HCOO]- 369.005041 185.1
[M+CH3COO]- 383.020691 212.1
[M+Na-2H]- 344.981506 171.3
[M]+ 324.00629142 173.9
[M]- 324.00738858 173.9
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

No patent data available for this compound.