CID 118943981

2228419-08-5

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-methylpyridin-3-yl)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]+ 174.07250 132.9
[M+Na]+ 196.05444 141.8
[M-H]- 172.05794 131.5
[M+NH4]+ 191.09904 151.4
[M+K]+ 212.02838 139.1
[M+H-H2O]+ 156.06248 125.5
[M+HCOO]- 218.06342 151.5
[M+CH3COO]- 232.07907 177.2
[M+Na-2H]- 194.03989 139.9
[M]+ 173.06467 130.0
[M]- 173.06577 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