CID 12634796

2-fluoro-3-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
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 119.6
[M+Na]+ 149.03731 129.4
[M-H]- 125.04082 121.5
[M+NH4]+ 144.08192 141.7
[M+K]+ 165.01125 127.3
[M+H-H2O]+ 109.04536 114.3
[M+HCOO]- 171.04630 142.6
[M+CH3COO]- 185.06195 169.6
[M+Na-2H]- 147.02276 126.6
[M]+ 126.04755 118.0
[M]- 126.04864 118.0
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