CID 43439221

5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C7H5ClN4S
SMILES
C1=C(SC(=C1)Cl)C2=CN=NC(=N2)N
InChI
InChI=1S/C7H5ClN4S/c8-6-2-1-5(13-6)4-3-10-12-7(9)11-4/h1-3H,(H2,9,11,12)
InChIKey
DQTBBVWROPNYFD-UHFFFAOYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99234 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99962 139.6
[M+Na]+ 234.98156 151.7
[M-H]- 210.98506 143.2
[M+NH4]+ 230.02616 157.4
[M+K]+ 250.95550 146.3
[M+H-H2O]+ 194.98960 132.3
[M+HCOO]- 256.99054 153.9
[M+CH3COO]- 271.00619 152.9
[M+Na-2H]- 232.96701 142.8
[M]+ 211.99179 141.7
[M]- 211.99289 141.7
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.