CID 130155950

84473-96-1

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

0
Patents

220.96465 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97193 138.1
[M+Na]+ 243.95387 149.3
[M-H]- 219.95737 139.4
[M+NH4]+ 238.99847 156.7
[M+K]+ 259.92781 144.0
[M+H-H2O]+ 203.96191 135.7
[M+HCOO]- 265.96285 151.1
[M+CH3COO]- 279.97850 184.2
[M+Na-2H]- 241.93932 140.5
[M]+ 220.96410 139.5
[M]- 220.96520 139.5
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.