CID 821264

2-chloro-4-iodobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
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

No literature data available for this compound.

Patent stripe

patents stripe