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 158.9
[M+Na]+ 312.02342 169.7
[M-H]- 288.02692 157.9
[M+NH4]+ 307.06802 170.7
[M+K]+ 327.99736 162.8
[M+H-H2O]+ 272.03146 147.5
[M+HCOO]- 334.03240 172.5
[M+CH3COO]- 348.04805 202.5
[M+Na-2H]- 310.00887 165.3
[M]+ 289.03365 155.1
[M]- 289.03475 155.1
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.