CID 3606993

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

Structural Information

Molecular Formula
C9H6ClN3O3S
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)NN
InChI
InChI=1S/C9H6ClN3O3S/c10-7-5-2-1-4(13(15)16)3-6(5)17-8(7)9(14)12-11/h1-3H,11H2,(H,12,14)
InChIKey
XBJZTBIUABBHOW-UHFFFAOYSA-N
Compound name
3-chloro-6-nitro-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.98184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98912 150.6
[M+Na]+ 293.97106 162.3
[M+NH4]+ 289.01566 158.8
[M+K]+ 309.94500 159.3
[M-H]- 269.97456 154.3
[M+Na-2H]- 291.95651 155.5
[M]+ 270.98129 153.7
[M]- 270.98239 153.7
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.