CID 3549669

3-fluoro-5-methylphenol

Structural Information

Molecular Formula
C7H7FO
SMILES
CC1=CC(=CC(=C1)F)O
InChI
InChI=1S/C7H7FO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3
InChIKey
AYMBVFCWNCCREA-UHFFFAOYSA-N
Compound name
3-fluoro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

126.048096 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05537 122.2
[M+Na]+ 149.03731 135.4
[M+NH4]+ 144.08192 131.1
[M+K]+ 165.01125 129.0
[M-H]- 125.04082 123.3
[M+Na-2H]- 147.02276 129.3
[M]+ 126.04755 124.3
[M]- 126.04864 124.3
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

patents stripe