CID 130155950

Schembl28883530

Structural Information

Molecular Formula

C₇H₅Cl₂NO₃

SMILES

C1=C(C(=C(C(=C1Cl)N)Cl)O)C(=O)O

InChI

InChI=1S/C7H5Cl2NO3/c8-3-1-2(7(12)13)6(11)4(9)5(3)10/h1,11H,10H2,(H,12,13)

InChIKey

DHERCDVMLMYOPD-UHFFFAOYSA-N

Compound name

4-amino-3,5-dichloro-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 220.96465 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.971926	138.1
[M+Na]+	243.953868	149.3
[M-H]-	219.957374	139.4
[M+NH4]+	238.998473	156.7
[M+K]+	259.927808	144.0
[M+H-H2O]+	203.961910	135.7
[M+HCOO]-	265.962851	151.1
[M+CH3COO]-	279.978501	184.2
[M+Na-2H]-	241.939316	140.5
[M]+	220.96410142	139.5
[M]-	220.96519858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe