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

393
Patents

126.048096 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.055372 119.6
[M+Na]+ 149.037314 129.4
[M-H]- 125.040820 121.5
[M+NH4]+ 144.081919 141.7
[M+K]+ 165.011254 127.3
[M+H-H2O]+ 109.045356 114.3
[M+HCOO]- 171.046297 142.6
[M+CH3COO]- 185.061947 169.6
[M+Na-2H]- 147.022762 126.6
[M]+ 126.04754742 118.0
[M]- 126.04864458 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