CID 118943981

2,2-difluoro-2-(6-methylpyridin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H9F2NO
SMILES
CC1=NC=C(C=C1)C(CO)(F)F
InChI
InChI=1S/C8H9F2NO/c1-6-2-3-7(4-11-6)8(9,10)5-12/h2-4,12H,5H2,1H3
InChIKey
YIEGEIXSYLHYIE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

173.06522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.072496 132.9
[M+Na]+ 196.054438 141.8
[M-H]- 172.057944 131.5
[M+NH4]+ 191.099043 151.4
[M+K]+ 212.028378 139.1
[M+H-H2O]+ 156.062480 125.5
[M+HCOO]- 218.063421 151.5
[M+CH3COO]- 232.079071 177.2
[M+Na-2H]- 194.039886 139.9
[M]+ 173.06467142 130.0
[M]- 173.06576858 130.0
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