CID 165687205

En300-1954756

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-methoxypyridin-4-yl)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]+ 204.08307 140.8
[M+Na]+ 226.06501 149.1
[M-H]- 202.06851 139.2
[M+NH4]+ 221.10961 158.0
[M+K]+ 242.03895 146.7
[M+H-H2O]+ 186.07305 133.0
[M+HCOO]- 248.07399 159.2
[M+CH3COO]- 262.08964 182.3
[M+Na-2H]- 224.05046 147.3
[M]+ 203.07524 139.7
[M]- 203.07634 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.