CID 21180271

4-(fluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=CC=C1C(=O)O)OCF
InChI
InChI=1S/C8H7FO3/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
YJDLLZWLIZBXMQ-UHFFFAOYSA-N
Compound name
4-(fluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

170.03792 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 130.3
[M+Na]+ 193.02714 138.6
[M-H]- 169.03064 131.6
[M+NH4]+ 188.07174 150.0
[M+K]+ 209.00108 137.0
[M+H-H2O]+ 153.03518 124.0
[M+HCOO]- 215.03612 152.5
[M+CH3COO]- 229.05177 175.5
[M+Na-2H]- 191.01259 136.0
[M]+ 170.03737 130.2
[M]- 170.03847 130.2
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