CID 2737394

4-fluoro-3-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

966
Patents

126.048096 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe