CID 87921

2,6-difluorobenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

612
Patents

144.03867 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.045946 122.4
[M+Na]+ 167.027888 132.2
[M-H]- 143.031394 122.8
[M+NH4]+ 162.072493 143.7
[M+K]+ 183.001828 129.6
[M+H-H2O]+ 127.035930 116.0
[M+HCOO]- 189.036871 144.2
[M+CH3COO]- 203.052521 172.4
[M+Na-2H]- 165.013336 128.7
[M]+ 144.03812142 119.6
[M]- 144.03921858 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