CID 67969

Benzenemethanol, 2-fluoro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2507
Patents

126.048096 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05537 120.2
[M+Na]+ 149.03731 129.1
[M-H]- 125.04082 121.8
[M+NH4]+ 144.08192 142.1
[M+K]+ 165.01125 127.0
[M+H-H2O]+ 109.04536 114.7
[M+HCOO]- 171.04630 143.2
[M+CH3COO]- 185.06195 168.5
[M+Na-2H]- 147.02276 127.9
[M]+ 126.04755 118.3
[M]- 126.04864 118.3
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