CID 10361

4-fluoro-3-iodobenzoic acid

Structural Information

Molecular Formula
C7H4FIO2
SMILES
C1=CC(=C(C=C1C(=O)O)I)F
InChI
InChI=1S/C7H4FIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
IKSOHJRYPQRTLQ-UHFFFAOYSA-N
Compound name
4-fluoro-3-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
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

literature stripe

Patent stripe

patents stripe