CID 519638

2-chloro-5-iodobenzoic acid

Structural Information

Molecular Formula
C7H4ClIO2
SMILES
C1=CC(=C(C=C1I)C(=O)O)Cl
InChI
InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
GEBYSTBEDVQOTK-UHFFFAOYSA-N
Compound name
2-chloro-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

281.89444 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.90172 137.9
[M+Na]+ 304.88366 140.9
[M-H]- 280.88716 133.9
[M+NH4]+ 299.92826 153.7
[M+K]+ 320.85760 143.1
[M+H-H2O]+ 264.89170 130.4
[M+HCOO]- 326.89264 151.7
[M+CH3COO]- 340.90829 184.5
[M+Na-2H]- 302.86911 131.3
[M]+ 281.89389 137.0
[M]- 281.89499 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe