CID 136295

4-fluoro-2-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1478
Patents

126.048096 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe