CID 84650853

1784794-98-4

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=CC(=NC(=C1)C(F)F)CO
InChI
InChI=1S/C7H7F2NO/c8-7(9)6-3-1-2-5(4-11)10-6/h1-3,7,11H,4H2
InChIKey
YMPKCVIKKFXQJL-UHFFFAOYSA-N
Compound name
[6-(difluoromethyl)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

159.04958 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05686 127.9
[M+Na]+ 182.03880 136.5
[M-H]- 158.04230 126.4
[M+NH4]+ 177.08340 146.8
[M+K]+ 198.01274 134.1
[M+H-H2O]+ 142.04684 120.2
[M+HCOO]- 204.04778 147.4
[M+CH3COO]- 218.06343 174.7
[M+Na-2H]- 180.02425 133.6
[M]+ 159.04903 124.5
[M]- 159.05013 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