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]+ 146.022796 125.6
[M+Na]+ 168.004738 136.5
[M-H]- 144.008244 125.0
[M+NH4]+ 163.049343 143.1
[M+K]+ 183.978678 132.9
[M+H-H2O]+ 128.012780 118.7
[M+HCOO]- 190.013721 144.2
[M+CH3COO]- 204.029371 176.1
[M+Na-2H]- 165.990186 133.6
[M]+ 145.01497142 123.9
[M]- 145.01606858 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

literature stripe

Patent stripe

patents stripe