CID 4635111

4-imino-5-methidyl-2-trifluoromethylpyrimidine

Structural Information

Molecular Formula
C6H4F3N3
SMILES
C=C1C=NC(=NC1=N)C(F)(F)F
InChI
InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2
InChIKey
YKFRUALXTUDSBW-UHFFFAOYSA-N
Compound name
5-methylidene-2-(trifluoromethyl)pyrimidin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

175.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04302 131.3
[M+Na]+ 198.02496 141.3
[M-H]- 174.02846 128.9
[M+NH4]+ 193.06956 148.8
[M+K]+ 213.99890 137.8
[M+H-H2O]+ 158.03300 122.3
[M+HCOO]- 220.03394 149.3
[M+CH3COO]- 234.04959 181.2
[M+Na-2H]- 196.01041 137.8
[M]+ 175.03519 124.1
[M]- 175.03629 124.1
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

patents stripe