CID 13004447

3,5-difluoro-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4F2O3
SMILES
C1=C(C=C(C(=C1F)O)F)C(=O)O
InChI
InChI=1S/C7H4F2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey
ONYKRDQINKHFQS-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

174.01285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02013 127.5
[M+Na]+ 197.00207 137.7
[M-H]- 173.00557 127.0
[M+NH4]+ 192.04667 146.9
[M+K]+ 212.97601 135.1
[M+H-H2O]+ 157.01011 121.2
[M+HCOO]- 219.01105 147.5
[M+CH3COO]- 233.02670 175.1
[M+Na-2H]- 194.98752 131.4
[M]+ 174.01230 124.8
[M]- 174.01340 124.8
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