CID 165999929

4-amino-6-(1,1-difluoroethyl)-2,5-dihydro-1,3,5-triazin-2-one

Structural Information

Molecular Formula
C5H6F2N4O
SMILES
CC(C1=NC(=NC(=O)N1)N)(F)F
InChI
InChI=1S/C5H6F2N4O/c1-5(6,7)2-9-3(8)11-4(12)10-2/h1H3,(H3,8,9,10,11,12)
InChIKey
PIODQCCSTRSEPP-UHFFFAOYSA-N
Compound name
4-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05096 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05824 133.5
[M+Na]+ 199.04018 144.1
[M-H]- 175.04368 129.7
[M+NH4]+ 194.08478 148.8
[M+K]+ 215.01412 140.6
[M+H-H2O]+ 159.04822 124.9
[M+HCOO]- 221.04916 151.0
[M+CH3COO]- 235.06481 178.5
[M+Na-2H]- 197.02563 140.6
[M]+ 176.05041 128.5
[M]- 176.05151 128.5
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.