CID 522721

3,5-difluorobenzyl alcohol

Structural Information

Molecular Formula
C7H6F2O
SMILES
C1=C(C=C(C=C1F)F)CO
InChI
InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey
LOGIHEKXJKHXEC-UHFFFAOYSA-N
Compound name
(3,5-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

885
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 127.6
[M+Na]+ 167.02789 139.5
[M+NH4]+ 162.07249 135.4
[M+K]+ 183.00183 133.2
[M-H]- 143.03139 127.0
[M+Na-2H]- 165.01334 133.6
[M]+ 144.03812 128.9
[M]- 144.03922 128.9
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

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