CID 5483266

Promurit

Structural Information

Molecular Formula
C7H6Cl2N4S
SMILES
C1=CC(=C(C=C1N/N=N/C(=S)N)Cl)Cl
InChI
InChI=1S/C7H6Cl2N4S/c8-5-2-1-4(3-6(5)9)11-13-12-7(10)14/h1-3H,(H3,10,11,12,14)
InChIKey
BOQUJWASRWDQOS-UHFFFAOYSA-N
Compound name
(E)-[(3,4-dichlorophenyl)hydrazinylidene]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.96902 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97630 151.0
[M+Na]+ 270.95824 159.8
[M-H]- 246.96174 156.7
[M+NH4]+ 266.00284 170.0
[M+K]+ 286.93218 154.4
[M+H-H2O]+ 230.96628 145.9
[M+HCOO]- 292.96722 166.5
[M+CH3COO]- 306.98287 201.6
[M+Na-2H]- 268.94369 154.1
[M]+ 247.96847 153.4
[M]- 247.96957 153.4
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

No patent data available for this compound.