CID 27940

3-methyldibenzothiophene

Structural Information

Molecular Formula
C13H10S
SMILES
CC1=CC2=C(C=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3
InChIKey
URUCEYZTJIJMLX-UHFFFAOYSA-N
Compound name
3-methyldibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1404
Patents

198.05032 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05760 138.5
[M+Na]+ 221.03954 150.8
[M-H]- 197.04304 145.4
[M+NH4]+ 216.08414 163.2
[M+K]+ 237.01348 145.8
[M+H-H2O]+ 181.04758 133.8
[M+HCOO]- 243.04852 158.9
[M+CH3COO]- 257.06417 153.8
[M+Na-2H]- 219.02499 144.9
[M]+ 198.04977 143.1
[M]- 198.05087 143.1
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.