CID 18831

3397-62-4

Structural Information

Molecular Formula
C3H4ClN5
SMILES
C1(=NC(=NC(=N1)Cl)N)N
InChI
InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChIKey
FVFVNNKYKYZTJU-UHFFFAOYSA-N
Compound name
6-chloro-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

39
References

20247
Patents

145.01552 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02280 123.0
[M+Na]+ 168.00474 135.7
[M+NH4]+ 163.04934 130.5
[M+K]+ 183.97868 130.8
[M-H]- 144.00824 124.1
[M+Na-2H]- 165.99019 130.0
[M]+ 145.01497 125.1
[M]- 145.01607 125.1
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