CID 2779242

3-fluoro-2-methylbenzyl alcohol

Structural Information

Molecular Formula
C8H9FO
SMILES
CC1=C(C=CC=C1F)CO
InChI
InChI=1S/C8H9FO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3
InChIKey
GZMJGSWNFDZTNZ-UHFFFAOYSA-N
Compound name
(3-fluoro-2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 124.3
[M+Na]+ 163.05296 133.7
[M-H]- 139.05646 126.1
[M+NH4]+ 158.09756 145.9
[M+K]+ 179.02690 131.3
[M+H-H2O]+ 123.06100 118.8
[M+HCOO]- 185.06194 147.0
[M+CH3COO]- 199.07759 172.6
[M+Na-2H]- 161.03841 130.8
[M]+ 140.06319 123.1
[M]- 140.06429 123.1
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