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

35
Patents

170.03792 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 130.3
[M+Na]+ 193.027138 138.6
[M-H]- 169.030644 131.6
[M+NH4]+ 188.071743 150.0
[M+K]+ 209.001078 137.0
[M+H-H2O]+ 153.035180 124.0
[M+HCOO]- 215.036121 152.5
[M+CH3COO]- 229.051771 175.5
[M+Na-2H]- 191.012586 136.0
[M]+ 170.03737142 130.2
[M]- 170.03846858 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