CID 3073492

149338-26-1

Structural Information

Molecular Formula
C14H8ClFN2O2S
SMILES
C1=CC(=CC=C1NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-])F
InChI
InChI=1S/C14H8ClFN2O2S/c15-8-1-6-12-11(7-8)13(14(21-12)18(19)20)17-10-4-2-9(16)3-5-10/h1-7,17H
InChIKey
GSOBTPZMZQWOQV-UHFFFAOYSA-N
Compound name
5-chloro-N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9979 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00518 160.3
[M+Na]+ 344.98712 175.7
[M+NH4]+ 340.03172 169.8
[M+K]+ 360.96106 169.6
[M-H]- 320.99062 166.1
[M+Na-2H]- 342.97257 168.9
[M]+ 321.99735 164.9
[M]- 321.99845 164.9
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.