CID 68008

3-fluorobenzyl alcohol

Structural Information

Molecular Formula
C7H7FO
SMILES
C1=CC(=CC(=C1)F)CO
InChI
InChI=1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey
QDHRSLFSDGCJFX-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2255
Patents

126.048096 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05537 122.4
[M+Na]+ 149.03731 135.2
[M+NH4]+ 144.08192 131.3
[M+K]+ 165.01125 128.7
[M-H]- 125.04082 123.4
[M+Na-2H]- 147.02276 129.7
[M]+ 126.04755 124.5
[M]- 126.04864 124.5
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