CID 874733

3,4-dichloro-1-benzothiophene-2-carbohydrazide

Structural Information

Molecular Formula
C9H6Cl2N2OS
SMILES
C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)NN)Cl
InChI
InChI=1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
InChIKey
HSSHUDKWJRJKPV-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

259.9578 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.96508 151.4
[M+Na]+ 282.94702 163.4
[M-H]- 258.95052 156.4
[M+NH4]+ 277.99162 172.8
[M+K]+ 298.92096 156.9
[M+H-H2O]+ 242.95506 148.3
[M+HCOO]- 304.95600 163.9
[M+CH3COO]- 318.97165 164.8
[M+Na-2H]- 280.93247 153.8
[M]+ 259.95725 156.6
[M]- 259.95835 156.6
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