CID 298442

2-dibenzothiophenamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

392
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 137.5
[M+Na]+ 222.03480 152.4
[M+NH4]+ 217.07940 149.3
[M+K]+ 238.00874 143.6
[M-H]- 198.03830 142.8
[M+Na-2H]- 220.02025 145.7
[M]+ 199.04503 141.8
[M]- 199.04613 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe