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

39
Patents

296.90536 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.912636 146.6
[M+Na]+ 319.894578 149.5
[M-H]- 295.898084 142.5
[M+NH4]+ 314.939183 161.4
[M+K]+ 335.868518 151.4
[M+H-H2O]+ 279.902620 138.8
[M+HCOO]- 341.903561 160.6
[M+CH3COO]- 355.919211 189.7
[M+Na-2H]- 317.880026 138.0
[M]+ 296.90481142 144.3
[M]- 296.90590858 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