CID 2778033

16617-00-8

Structural Information

Molecular Formula
C6Cl3F6N3
SMILES
C1(=NC(=NC(=N1)C(F)(F)Cl)C(F)(F)Cl)C(F)(F)Cl
InChI
InChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15
InChIKey
MYPGWKSSWURUMJ-UHFFFAOYSA-N
Compound name
2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.9062 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.91348 151.4
[M+Na]+ 355.89542 163.5
[M-H]- 331.89892 142.9
[M+NH4]+ 350.94002 162.5
[M+K]+ 371.86936 156.8
[M+H-H2O]+ 315.90346 140.3
[M+HCOO]- 377.90440 146.9
[M+CH3COO]- 391.92005 204.2
[M+Na-2H]- 353.88087 156.3
[M]+ 332.90565 146.4
[M]- 332.90675 146.4
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.