CID 1268079

2-hydrazino-4-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H5F3N4
SMILES
C1=CN=C(N=C1C(F)(F)F)NN
InChI
InChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)
InChIKey
XQCAINVUBSAUBJ-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

91
Patents

178.04663 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05391 131.0
[M+Na]+ 201.03585 140.1
[M-H]- 177.03935 128.2
[M+NH4]+ 196.08045 147.8
[M+K]+ 217.00979 137.4
[M+H-H2O]+ 161.04389 121.4
[M+HCOO]- 223.04483 150.9
[M+CH3COO]- 237.06048 182.8
[M+Na-2H]- 199.02130 139.3
[M]+ 178.04608 124.3
[M]- 178.04718 124.3
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