CID 2778012

6-chloro-2-(4-methoxyanilino)-3-nitrobenzoic acid

Structural Information

Molecular Formula
C14H11ClN2O5
SMILES
COC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN2O5/c1-22-9-4-2-8(3-5-9)16-13-11(17(20)21)7-6-10(15)12(13)14(18)19/h2-7,16H,1H3,(H,18,19)
InChIKey
TUMPLVXSHCYVQG-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-methoxyanilino)-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

322.03564 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04292 167.4
[M+Na]+ 345.02486 181.4
[M+NH4]+ 340.06946 174.0
[M+K]+ 360.99880 178.1
[M-H]- 321.02836 171.9
[M+Na-2H]- 343.01031 174.3
[M]+ 322.03509 170.7
[M]- 322.03619 170.7
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