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]+ 255.035336 153.5
[M+Na]+ 277.017278 164.4
[M-H]- 253.020784 158.8
[M+NH4]+ 272.061883 174.8
[M+K]+ 292.991218 158.6
[M+H-H2O]+ 237.025320 149.0
[M+HCOO]- 299.026261 170.3
[M+CH3COO]- 313.041911 195.9
[M+Na-2H]- 275.002726 155.6
[M]+ 254.02751142 158.3
[M]- 254.02860858 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.