CID 97399

6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C9H8ClN5
SMILES
C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)Cl
InChI
InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
RDRNLYCDZBVQKZ-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

221.04683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05411 146.8
[M+Na]+ 244.03605 157.6
[M-H]- 220.03955 149.3
[M+NH4]+ 239.08065 161.2
[M+K]+ 260.00999 151.5
[M+H-H2O]+ 204.04409 138.2
[M+HCOO]- 266.04503 165.0
[M+CH3COO]- 280.06068 158.9
[M+Na-2H]- 242.02150 153.8
[M]+ 221.04628 145.5
[M]- 221.04738 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe