CID 22244964

4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C4H2ClF3N4
SMILES
C1(=NC(=NC(=N1)Cl)N)C(F)(F)F
InChI
InChI=1S/C4H2ClF3N4/c5-2-10-1(4(6,7)8)11-3(9)12-2/h(H2,9,10,11,12)
InChIKey
ITXUBIMPBJDSJU-UHFFFAOYSA-N
Compound name
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

197.992 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99928 132.6
[M+Na]+ 220.98122 144.5
[M-H]- 196.98472 128.6
[M+NH4]+ 216.02582 148.6
[M+K]+ 236.95516 140.0
[M+H-H2O]+ 180.98926 123.4
[M+HCOO]- 242.99020 145.7
[M+CH3COO]- 257.00585 182.7
[M+Na-2H]- 218.96667 139.8
[M]+ 197.99145 128.9
[M]- 197.99255 128.9
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