CID 2774595

5-fluoro-2-methylbenzyl alcohol

Structural Information

Molecular Formula
C8H9FO
SMILES
CC1=C(C=C(C=C1)F)CO
InChI
InChI=1S/C8H9FO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
InChIKey
WEXCPHVQJFWNFM-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

140.06374 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07102 126.8
[M+Na]+ 163.05296 139.8
[M+NH4]+ 158.09756 135.5
[M+K]+ 179.02690 133.1
[M-H]- 139.05646 127.8
[M+Na-2H]- 161.03841 133.6
[M]+ 140.06319 128.9
[M]- 140.06429 128.9
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