CID 12659189

3,7-dimethyldibenzothiophene

Structural Information

Molecular Formula
C14H12S
SMILES
CC1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)C
InChI
InChI=1S/C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8H,1-2H3
InChIKey
ONJGEBKWOANHSB-UHFFFAOYSA-N
Compound name
3,7-dimethyldibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

590
Patents

212.06598 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07326 142.9
[M+Na]+ 235.05520 155.6
[M-H]- 211.05870 150.0
[M+NH4]+ 230.09980 167.4
[M+K]+ 251.02914 150.4
[M+H-H2O]+ 195.06324 138.3
[M+HCOO]- 257.06418 163.0
[M+CH3COO]- 271.07983 158.1
[M+Na-2H]- 233.04065 148.1
[M]+ 212.06543 148.3
[M]- 212.06653 148.3
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.