CID 3060073

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

Structural Information

Molecular Formula
C9H7Cl2N5
SMILES
C1=CC(=C(C=C1Cl)C2=C(N=C(N=N2)N)N)Cl
InChI
InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKey
QPXGLZOHUMHCAR-UHFFFAOYSA-N
Compound name
6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

255.00784 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01512 153.1
[M+Na]+ 277.99706 164.8
[M-H]- 254.00056 154.9
[M+NH4]+ 273.04166 166.7
[M+K]+ 293.97100 157.8
[M+H-H2O]+ 238.00510 145.1
[M+HCOO]- 300.00604 165.9
[M+CH3COO]- 314.02169 164.5
[M+Na-2H]- 275.98251 158.3
[M]+ 255.00729 153.2
[M]- 255.00839 153.2
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.