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 152.1
[M+Na]+ 293.97106 161.0
[M-H]- 269.97456 157.0
[M+NH4]+ 289.01566 170.9
[M+K]+ 309.94500 152.2
[M+H-H2O]+ 253.97910 151.9
[M+HCOO]- 315.98004 170.3
[M+CH3COO]- 329.99569 190.9
[M+Na-2H]- 291.95651 157.2
[M]+ 270.98129 154.2
[M]- 270.98239 154.2
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.