CID 71535482

5-fluoro-2-iodo-3-methylbenzoic acid

Structural Information

Molecular Formula
C8H6FIO2
SMILES
CC1=CC(=CC(=C1I)C(=O)O)F
InChI
InChI=1S/C8H6FIO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
PAZAVFQHUJMVOF-UHFFFAOYSA-N
Compound name
5-fluoro-2-iodo-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

279.93967 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94695 145.5
[M+Na]+ 302.92889 150.0
[M+NH4]+ 297.97349 148.5
[M+K]+ 318.90283 147.8
[M-H]- 278.93239 139.2
[M+Na-2H]- 300.91434 137.9
[M]+ 279.93912 143.1
[M]- 279.94022 143.1
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