CID 153389

4-dibenzothiophenamine

Structural Information

Molecular Formula
C12H9NS
SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)N
InChI
InChI=1S/C12H9NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H,13H2
InChIKey
JIGOHKABACJGLE-UHFFFAOYSA-N
Compound name
dibenzothiophen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

354
Patents

199.04558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05286 137.3
[M+Na]+ 222.03480 149.1
[M-H]- 198.03830 143.6
[M+NH4]+ 217.07940 161.3
[M+K]+ 238.00874 143.8
[M+H-H2O]+ 182.04284 132.5
[M+HCOO]- 244.04378 158.4
[M+CH3COO]- 258.05943 152.2
[M+Na-2H]- 220.02025 144.0
[M]+ 199.04503 140.0
[M]- 199.04613 140.0
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.