CID 2774592

(4-fluoro-3-methylphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

140.06374 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 124.3
[M+Na]+ 163.052958 133.7
[M-H]- 139.056464 126.1
[M+NH4]+ 158.097563 145.9
[M+K]+ 179.026898 131.3
[M+H-H2O]+ 123.061000 118.8
[M+HCOO]- 185.061941 147.0
[M+CH3COO]- 199.077591 172.6
[M+Na-2H]- 161.038406 130.8
[M]+ 140.06319142 123.1
[M]- 140.06428858 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