CID 12540047

2-hydroxy-3-iodo-5-methylbenzoic acid

Structural Information

Molecular Formula
C8H7IO3
SMILES
CC1=CC(=C(C(=C1)I)O)C(=O)O
InChI
InChI=1S/C8H7IO3/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12)
InChIKey
NDSWWULHQGWUQT-UHFFFAOYSA-N
Compound name
2-hydroxy-3-iodo-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.944 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95128 143.9
[M+Na]+ 300.93322 146.1
[M-H]- 276.93672 139.0
[M+NH4]+ 295.97782 158.5
[M+K]+ 316.90716 149.7
[M+H-H2O]+ 260.94126 135.5
[M+HCOO]- 322.94220 160.2
[M+CH3COO]- 336.95785 184.4
[M+Na-2H]- 298.91867 135.6
[M]+ 277.94345 141.3
[M]- 277.94455 141.3
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

No patent data available for this compound.