CID 302628

3-fluoro-2-methylphenol

Structural Information

Molecular Formula
C7H7FO
SMILES
CC1=C(C=CC=C1F)O
InChI
InChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKey
OMGVVVBQKWNRQA-UHFFFAOYSA-N
Compound name
3-fluoro-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
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

literature stripe

Patent stripe

patents stripe