CID 72218532

5-(difluoromethyl)pyridin-3-ol

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=C(C=NC=C1O)C(F)F
InChI
InChI=1S/C6H5F2NO/c7-6(8)4-1-5(10)3-9-2-4/h1-3,6,10H
InChIKey
ZMRGSVJWMKILDY-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.03392 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04120 123.1
[M+Na]+ 168.02314 132.2
[M-H]- 144.02664 121.9
[M+NH4]+ 163.06774 142.6
[M+K]+ 183.99708 130.1
[M+H-H2O]+ 128.03118 115.7
[M+HCOO]- 190.03212 143.0
[M+CH3COO]- 204.04777 171.7
[M+Na-2H]- 166.00859 129.5
[M]+ 145.03337 119.5
[M]- 145.03447 119.5
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

No patent data available for this compound.