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

2502
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.