CID 129978920

2,4-dichloro-6-(trifluoromethyl)-1,3,5-triazine

Structural Information

Molecular Formula
C4Cl2F3N3
SMILES
C1(=NC(=NC(=N1)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C4Cl2F3N3/c5-2-10-1(4(7,8)9)11-3(6)12-2
InChIKey
WDKAIRUWWMHPJW-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(trifluoromethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.94214 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.94942 130.9
[M+Na]+ 239.93136 143.6
[M-H]- 215.93486 126.6
[M+NH4]+ 234.97596 147.0
[M+K]+ 255.90530 138.5
[M+H-H2O]+ 199.93940 122.1
[M+HCOO]- 261.94034 138.4
[M+CH3COO]- 275.95599 183.4
[M+Na-2H]- 237.91681 138.1
[M]+ 216.94159 129.8
[M]- 216.94269 129.8
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

No patent data available for this compound.