CID 3073482

149338-14-7

Structural Information

Molecular Formula
C15H11ClN2O2S
SMILES
CC1=C(C=CC(=C1)Cl)NC2=C(SC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClN2O2S/c1-9-8-10(16)6-7-12(9)17-14-11-4-2-3-5-13(11)21-15(14)18(19)20/h2-8,17H,1H3
InChIKey
HFIVBNYTOSCVMX-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2-nitro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.02298 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03026 166.0
[M+Na]+ 341.01220 182.3
[M+NH4]+ 336.05680 176.2
[M+K]+ 356.98614 175.6
[M-H]- 317.01570 173.4
[M+Na-2H]- 338.99765 174.9
[M]+ 318.02243 171.3
[M]- 318.02353 171.3
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.