CID 35139

2-(trichloromethyl)-1,3,5-triazine

Structural Information

Molecular Formula
C4H2Cl3N3
SMILES
C1=NC=NC(=N1)C(Cl)(Cl)Cl
InChI
InChI=1S/C4H2Cl3N3/c5-4(6,7)3-9-1-8-2-10-3/h1-2H
InChIKey
QTUVQQKHBMGYEH-UHFFFAOYSA-N
Compound name
2-(trichloromethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14220
Patents

196.93143 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.93871 131.9
[M+Na]+ 219.92065 142.3
[M-H]- 195.92415 129.6
[M+NH4]+ 214.96525 148.1
[M+K]+ 235.89459 137.8
[M+H-H2O]+ 179.92869 125.4
[M+HCOO]- 241.92963 136.7
[M+CH3COO]- 255.94528 178.9
[M+Na-2H]- 217.90610 140.6
[M]+ 196.93088 132.8
[M]- 196.93198 132.8
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