CID 425122

3-dibenzothiophenamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

309
Patents

199.04558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.052856 137.3
[M+Na]+ 222.034798 149.1
[M-H]- 198.038304 143.6
[M+NH4]+ 217.079403 161.3
[M+K]+ 238.008738 143.8
[M+H-H2O]+ 182.042840 132.5
[M+HCOO]- 244.043781 158.4
[M+CH3COO]- 258.059431 152.2
[M+Na-2H]- 220.020246 144.0
[M]+ 199.04503142 140.0
[M]- 199.04612858 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

literature stripe

Patent stripe

patents stripe