CID 24209067

2-(phenylsulfinyl)-1-benzothiophen-3-amine

Structural Information

Molecular Formula
C14H11NOS2
SMILES
C1=CC=C(C=C1)S(=O)C2=C(C3=CC=CC=C3S2)N
InChI
InChI=1S/C14H11NOS2/c15-13-11-8-4-5-9-12(11)17-14(13)18(16)10-6-2-1-3-7-10/h1-9H,15H2
InChIKey
ABCRMAXVRMOFJN-UHFFFAOYSA-N
Compound name
2-(benzenesulfinyl)-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0282 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03548 156.8
[M+Na]+ 296.01742 167.8
[M-H]- 272.02092 164.8
[M+NH4]+ 291.06202 176.5
[M+K]+ 311.99136 161.2
[M+H-H2O]+ 256.02546 151.3
[M+HCOO]- 318.02640 172.5
[M+CH3COO]- 332.04205 169.8
[M+Na-2H]- 294.00287 159.1
[M]+ 273.02765 160.0
[M]- 273.02875 160.0
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.