CID 35700

2-methyldibenzothiophene

Structural Information

Molecular Formula
C13H10S
SMILES
CC1=CC2=C(C=C1)SC3=CC=CC=C32
InChI
InChI=1S/C13H10S/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8H,1H3
InChIKey
VHUXLBLPAMBOJS-UHFFFAOYSA-N
Compound name
2-methyldibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1547
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 138.2
[M+Na]+ 221.03954 154.6
[M+NH4]+ 216.08414 150.6
[M+K]+ 237.01348 144.9
[M-H]- 197.04304 143.6
[M+Na-2H]- 219.02499 146.8
[M]+ 198.04977 142.9
[M]- 198.05087 142.9
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