CID 21428141

3-amino-4-(4-chlorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)C(=O)O)N)Cl
InChI
InChI=1S/C13H10ClNO3/c14-9-2-4-10(5-3-9)18-12-6-1-8(13(16)17)7-11(12)15/h1-7H,15H2,(H,16,17)
InChIKey
DTJIZDHATGMWCI-UHFFFAOYSA-N
Compound name
3-amino-4-(4-chlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.0349 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04218 154.6
[M+Na]+ 286.02412 163.7
[M-H]- 262.02762 160.2
[M+NH4]+ 281.06872 171.0
[M+K]+ 301.99806 158.7
[M+H-H2O]+ 246.03216 148.5
[M+HCOO]- 308.03310 173.5
[M+CH3COO]- 322.04875 194.4
[M+Na-2H]- 284.00957 158.3
[M]+ 263.03435 156.2
[M]- 263.03545 156.2
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