CID 12520164

4-fluoro-2-iodobenzoic acid

Structural Information

Molecular Formula
C7H4FIO2
SMILES
C1=CC(=C(C=C1F)I)C(=O)O
InChI
InChI=1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
DUKFTVLJAXWGPI-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

265.924 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93128 136.3
[M+Na]+ 288.91322 138.6
[M-H]- 264.91672 131.2
[M+NH4]+ 283.95782 151.8
[M+K]+ 304.88716 142.3
[M+H-H2O]+ 248.92126 127.0
[M+HCOO]- 310.92220 153.3
[M+CH3COO]- 324.93785 183.4
[M+Na-2H]- 286.89867 129.3
[M]+ 265.92345 132.4
[M]- 265.92455 132.4
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