CID 71433186

6-chloro-4-iodopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H3ClINO2
SMILES
C1=C(C(=CN=C1Cl)C(=O)O)I
InChI
InChI=1S/C6H3ClINO2/c7-5-1-4(8)3(2-9-5)6(10)11/h1-2H,(H,10,11)
InChIKey
QFFFXLLUGUHIHH-UHFFFAOYSA-N
Compound name
6-chloro-4-iodopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

282.8897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.89698 135.7
[M+Na]+ 305.87892 139.1
[M-H]- 281.88242 130.5
[M+NH4]+ 300.92352 150.2
[M+K]+ 321.85286 141.6
[M+H-H2O]+ 265.88696 127.3
[M+HCOO]- 327.88790 148.6
[M+CH3COO]- 341.90355 184.1
[M+Na-2H]- 303.86437 129.9
[M]+ 282.88915 134.9
[M]- 282.89025 134.9
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