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]+ 175.067746 133.3
[M+Na]+ 197.049688 142.7
[M-H]- 173.053194 130.7
[M+NH4]+ 192.094293 150.5
[M+K]+ 213.023628 140.1
[M+H-H2O]+ 157.057730 125.2
[M+HCOO]- 219.058671 150.9
[M+CH3COO]- 233.074321 177.0
[M+Na-2H]- 195.035136 140.9
[M]+ 174.05992142 130.6
[M]- 174.06101858 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.