CID 22124509

2-amino-4-chloro-5-iodobenzoic acid

Structural Information

Molecular Formula
C7H5ClINO2
SMILES
C1=C(C(=CC(=C1I)Cl)N)C(=O)O
InChI
InChI=1S/C7H5ClINO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
InChIKey
VOCXXKZBKWSNCR-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 146.6
[M+Na]+ 319.89458 149.5
[M-H]- 295.89808 142.5
[M+NH4]+ 314.93918 161.4
[M+K]+ 335.86852 151.4
[M+H-H2O]+ 279.90262 138.8
[M+HCOO]- 341.90356 160.6
[M+CH3COO]- 355.91921 189.7
[M+Na-2H]- 317.88003 138.0
[M]+ 296.90481 144.3
[M]- 296.90591 144.3
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