CID 3041047

53387-70-5

Structural Information

Molecular Formula
C10H7ClF3N5
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=N2)N)C(F)(F)F)Cl
InChI
InChI=1S/C10H7ClF3N5/c11-5-1-3-6(4-2-5)16-9-18-7(10(12,13)14)17-8(15)19-9/h1-4H,(H3,15,16,17,18,19)
InChIKey
XPEOYFGMZUASEM-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04148 153.7
[M+Na]+ 312.02342 164.2
[M+NH4]+ 307.06802 158.3
[M+K]+ 327.99736 159.4
[M-H]- 288.02692 152.3
[M+Na-2H]- 310.00887 160.5
[M]+ 289.03365 154.7
[M]- 289.03475 154.7
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.