CID 154832490

2165996-89-2

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C[C@@H](C1=C(C=NC=C1F)F)O
InChI
InChI=1S/C7H7F2NO/c1-4(11)7-5(8)2-10-3-6(7)9/h2-4,11H,1H3/t4-/m0/s1
InChIKey
ULPJPAKKTBZGSF-BYPYZUCNSA-N
Compound name
(1S)-1-(3,5-difluoro-4-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.04958 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056856 127.4
[M+Na]+ 182.038798 137.0
[M-H]- 158.042304 126.4
[M+NH4]+ 177.083403 146.7
[M+K]+ 198.012738 134.7
[M+H-H2O]+ 142.046840 120.0
[M+HCOO]- 204.047781 147.0
[M+CH3COO]- 218.063431 175.9
[M+Na-2H]- 180.024246 132.5
[M]+ 159.04903142 124.5
[M]- 159.05012858 124.5
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

patents stripe