CID 1268103

Dibenzothiophene, 4,6-dimethyl-

Structural Information

Molecular Formula
C14H12S
SMILES
CC1=C2C(=CC=C1)C3=CC=CC(=C3S2)C
InChI
InChI=1S/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3
InChIKey
MYAQZIAVOLKEGW-UHFFFAOYSA-N
Compound name
4,6-dimethyldibenzothiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

2949
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

literature stripe

Patent stripe

patents stripe