CID 2757502

3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NN)Cl
InChI
InChI=1S/C11H11ClN2OS/c1-2-6-3-4-7-8(5-6)16-10(9(7)12)11(15)14-13/h3-5H,2,13H2,1H3,(H,14,15)
InChIKey
OVGOKWDEFIKZKA-UHFFFAOYSA-N
Compound name
3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 153.5
[M+Na]+ 277.01728 164.4
[M-H]- 253.02078 158.8
[M+NH4]+ 272.06188 174.8
[M+K]+ 292.99122 158.6
[M+H-H2O]+ 237.02532 149.0
[M+HCOO]- 299.02626 170.3
[M+CH3COO]- 313.04191 195.9
[M+Na-2H]- 275.00273 155.6
[M]+ 254.02751 158.3
[M]- 254.02861 158.3
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.