CID 3872017

4-fluoro-2-methylbenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
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.

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