CID 2757667

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

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN)Cl
InChI
InChI=1S/C10H9ClN2OS/c1-5-2-3-6-7(4-5)15-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKey
UGHMCPQAYIDWES-UHFFFAOYSA-N
Compound name
3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0124 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.019676 148.9
[M+Na]+ 263.001618 160.3
[M-H]- 239.005124 154.4
[M+NH4]+ 258.046223 170.8
[M+K]+ 278.975558 154.7
[M+H-H2O]+ 223.009660 144.7
[M+HCOO]- 285.010601 166.1
[M+CH3COO]- 299.026251 193.0
[M+Na-2H]- 260.987066 151.6
[M]+ 240.01185142 153.4
[M]- 240.01294858 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.