CID 155943805

[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
CC(C1=NC(=NC=C1)CO)(F)F
InChI
InChI=1S/C7H8F2N2O/c1-7(8,9)5-2-3-10-6(4-12)11-5/h2-3,12H,4H2,1H3
InChIKey
XHMPHQNPAXHFBP-UHFFFAOYSA-N
Compound name
[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06047 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06775 133.3
[M+Na]+ 197.04969 142.7
[M-H]- 173.05319 130.7
[M+NH4]+ 192.09429 150.5
[M+K]+ 213.02363 140.1
[M+H-H2O]+ 157.05773 125.2
[M+HCOO]- 219.05867 150.9
[M+CH3COO]- 233.07432 177.0
[M+Na-2H]- 195.03514 140.9
[M]+ 174.05992 130.6
[M]- 174.06102 130.6
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.