CID 165687205

3,3-difluoro-3-(2-methoxypyridin-4-yl)propan-1-ol

Structural Information

Molecular Formula
C9H11F2NO2
SMILES
COC1=NC=CC(=C1)C(CCO)(F)F
InChI
InChI=1S/C9H11F2NO2/c1-14-8-6-7(2-4-12-8)9(10,11)3-5-13/h2,4,6,13H,3,5H2,1H3
InChIKey
LLKLYNJTPCSTBF-UHFFFAOYSA-N
Compound name
3,3-difluoro-3-(2-methoxy-4-pyridinyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.083066 140.8
[M+Na]+ 226.065008 149.1
[M-H]- 202.068514 139.2
[M+NH4]+ 221.109613 158.0
[M+K]+ 242.038948 146.7
[M+H-H2O]+ 186.073050 133.0
[M+HCOO]- 248.073991 159.2
[M+CH3COO]- 262.089641 182.3
[M+Na-2H]- 224.050456 147.3
[M]+ 203.07524142 139.7
[M]- 203.07633858 139.7
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.