CID 522833

3,4-difluorobenzyl alcohol

Structural Information

Molecular Formula
C7H6F2O
SMILES
C1=CC(=C(C=C1CO)F)F
InChI
InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
GNQLTCVBSGVGHC-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

812
Patents

144.03867 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04595 122.4
[M+Na]+ 167.02789 132.2
[M-H]- 143.03139 122.8
[M+NH4]+ 162.07249 143.7
[M+K]+ 183.00183 129.6
[M+H-H2O]+ 127.03593 116.0
[M+HCOO]- 189.03687 144.2
[M+CH3COO]- 203.05252 172.4
[M+Na-2H]- 165.01334 128.7
[M]+ 144.03812 119.6
[M]- 144.03922 119.6
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