CID 19920908

4-(trifluoromethyl)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C4H3F3N4
SMILES
C1=NC(=NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C4H3F3N4/c5-4(6,7)2-9-1-10-3(8)11-2/h1H,(H2,8,9,10,11)
InChIKey
BKRBGIAVVCJSDV-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.03098 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03826 128.2
[M+Na]+ 187.02020 138.6
[M-H]- 163.02370 124.1
[M+NH4]+ 182.06480 144.4
[M+K]+ 202.99414 135.9
[M+H-H2O]+ 147.02824 118.3
[M+HCOO]- 209.02918 146.0
[M+CH3COO]- 223.04483 177.7
[M+Na-2H]- 185.00565 136.5
[M]+ 164.03043 122.3
[M]- 164.03153 122.3
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