CID 2758987

3-fluoro-5-iodobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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 140.8
[M+Na]+ 288.91322 145.1
[M+NH4]+ 283.95782 144.0
[M+K]+ 304.88716 143.0
[M-H]- 264.91672 134.5
[M+Na-2H]- 286.89867 133.7
[M]+ 265.92345 138.4
[M]- 265.92455 138.4
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