CID 12871

721-61-9

Structural Information

Molecular Formula
C8H12F3N5
SMILES
CCNC1=NC(=NC(=N1)C(F)(F)F)NCC
InChI
InChI=1S/C8H12F3N5/c1-3-12-6-14-5(8(9,10)11)15-7(16-6)13-4-2/h3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
VLKWQQFBFMQSNA-UHFFFAOYSA-N
Compound name
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.10448 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11176 150.2
[M+Na]+ 258.09370 159.0
[M-H]- 234.09720 146.4
[M+NH4]+ 253.13830 163.8
[M+K]+ 274.06764 155.5
[M+H-H2O]+ 218.10174 139.4
[M+HCOO]- 280.10268 168.3
[M+CH3COO]- 294.11833 196.5
[M+Na-2H]- 256.07915 157.2
[M]+ 235.10393 146.5
[M]- 235.10503 146.5
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