CID 135524745

[4-[(2,6-difluorophenyl)methyl]-6-oxo-1h-pyrimidin-2-yl]cyanamide

Structural Information

Molecular Formula
C12H8F2N4O
SMILES
C1=CC(=C(C(=C1)F)CC2=CC(=O)NC(=N2)NC#N)F
InChI
InChI=1S/C12H8F2N4O/c13-9-2-1-3-10(14)8(9)4-7-5-11(19)18-12(17-7)16-6-15/h1-3,5H,4H2,(H2,16,17,18,19)
InChIKey
DCFUESKKXPHEFC-UHFFFAOYSA-N
Compound name
[4-[(2,6-difluorophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.06662 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07390 153.9
[M+Na]+ 285.05584 165.0
[M-H]- 261.05934 153.2
[M+NH4]+ 280.10044 165.2
[M+K]+ 301.02978 158.8
[M+H-H2O]+ 245.06388 137.0
[M+HCOO]- 307.06482 170.1
[M+CH3COO]- 321.08047 207.0
[M+Na-2H]- 283.04129 158.0
[M]+ 262.06607 145.4
[M]- 262.06717 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.