CID 21897015

Diaminochlorotriazine

Structural Information

Molecular Formula
C3H4ClN5
SMILES
C1(=C(N=NN=C1Cl)N)N
InChI
InChI=1S/C3H4ClN5/c4-2-1(5)3(6)8-9-7-2/h(H2,5,9)(H2,6,7,8)
InChIKey
YBGBJEGPLMRYPL-UHFFFAOYSA-N
Compound name
6-chlorotriazine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

168
Patents

145.01552 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02280 125.6
[M+Na]+ 168.00474 136.5
[M-H]- 144.00824 125.0
[M+NH4]+ 163.04934 143.1
[M+K]+ 183.97868 132.9
[M+H-H2O]+ 128.01278 118.7
[M+HCOO]- 190.01372 144.2
[M+CH3COO]- 204.02937 176.1
[M+Na-2H]- 165.99019 133.6
[M]+ 145.01497 123.9
[M]- 145.01607 123.9
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.