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]+ 241.01968 148.9
[M+Na]+ 263.00162 160.3
[M-H]- 239.00512 154.4
[M+NH4]+ 258.04622 170.8
[M+K]+ 278.97556 154.7
[M+H-H2O]+ 223.00966 144.7
[M+HCOO]- 285.01060 166.1
[M+CH3COO]- 299.02625 193.0
[M+Na-2H]- 260.98707 151.6
[M]+ 240.01185 153.4
[M]- 240.01295 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.