CID 7176080

5-(3-chlorophenyl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C9H7ClN4
SMILES
C1=CC(=CC(=C1)Cl)C2=CN=NC(=N2)N
InChI
InChI=1S/C9H7ClN4/c10-7-3-1-2-6(4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
InChIKey
QDDAICRDPHZNBB-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

206.03592 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04320 141.5
[M+Na]+ 229.02514 152.2
[M-H]- 205.02864 144.0
[M+NH4]+ 224.06974 156.8
[M+K]+ 244.99908 146.5
[M+H-H2O]+ 189.03318 132.8
[M+HCOO]- 251.03412 159.2
[M+CH3COO]- 265.04977 154.1
[M+Na-2H]- 227.01059 149.9
[M]+ 206.03537 141.4
[M]- 206.03647 141.4
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

patents stripe