CID 198774

Benzo(b)thiophen-3-amine, n-(4-chlorophenyl)-2-nitro-

Structural Information

Molecular Formula
C14H9ClN2O2S
SMILES
C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2O2S/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)20-14(13)17(18)19/h1-8,16H
InChIKey
JQJWQLSRZLNBGR-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.00732 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01460 160.8
[M+Na]+ 326.99654 177.0
[M+NH4]+ 322.04114 171.2
[M+K]+ 342.97048 170.4
[M-H]- 303.00004 168.3
[M+Na-2H]- 324.98199 170.3
[M]+ 304.00677 166.1
[M]- 304.00787 166.1
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.