CID 33727892

2-(trifluoromethyl)pyrimidine-4,5-diamine

Structural Information

Molecular Formula
C5H5F3N4
SMILES
C1=C(C(=NC(=N1)C(F)(F)F)N)N
InChI
InChI=1S/C5H5F3N4/c6-5(7,8)4-11-1-2(9)3(10)12-4/h1H,9H2,(H2,10,11,12)
InChIKey
JIMAHMXSFTXDGJ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

178.04663 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05391 132.0
[M+Na]+ 201.03585 142.1
[M-H]- 177.03935 129.1
[M+NH4]+ 196.08045 148.8
[M+K]+ 217.00979 139.0
[M+H-H2O]+ 161.04389 122.8
[M+HCOO]- 223.04483 151.3
[M+CH3COO]- 237.06048 183.3
[M+Na-2H]- 199.02130 138.4
[M]+ 178.04608 124.7
[M]- 178.04718 124.7
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

patents stripe