CID 130066857

3,5-difluoro-4-iodobenzoic acid

Structural Information

Molecular Formula
C7H3F2IO2
SMILES
C1=C(C=C(C(=C1F)I)F)C(=O)O
InChI
InChI=1S/C7H3F2IO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey
PELPTVLNQCWMCR-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.91458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.92186 137.0
[M+Na]+ 306.90380 140.2
[M-H]- 282.90730 130.9
[M+NH4]+ 301.94840 152.0
[M+K]+ 322.87774 143.5
[M+H-H2O]+ 266.91184 127.0
[M+HCOO]- 328.91278 153.0
[M+CH3COO]- 342.92843 187.1
[M+Na-2H]- 304.88925 129.0
[M]+ 283.91403 132.3
[M]- 283.91513 132.3
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.