CID 53441656

2-amino-5-chloro-3-iodobenzoic acid

Structural Information

Molecular Formula
C7H5ClINO2
SMILES
C1=C(C=C(C(=C1C(=O)O)N)I)Cl
InChI
InChI=1S/C7H5ClINO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
VJRDUSOUTARJDM-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-3-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

296.90536 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.91264 146.8
[M+Na]+ 319.89458 151.7
[M+NH4]+ 314.93918 150.3
[M+K]+ 335.86852 149.5
[M-H]- 295.89808 142.0
[M+Na-2H]- 317.88003 139.5
[M]+ 296.90481 145.2
[M]- 296.90591 145.2
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