CID 5278227

5-methyl-1,4-dihydro-2,3-benzodithiine

Structural Information

Molecular Formula
C9H10S2
SMILES
CC1=C2CSSCC2=CC=C1
InChI
InChI=1S/C9H10S2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-4H,5-6H2,1H3
InChIKey
QMPYOKAZYJWTEF-UHFFFAOYSA-N
Compound name
5-methyl-1,4-dihydro-2,3-benzodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

182.0224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02968 130.7
[M+Na]+ 205.01162 139.0
[M-H]- 181.01512 134.9
[M+NH4]+ 200.05622 152.6
[M+K]+ 220.98556 134.8
[M+H-H2O]+ 165.01966 125.8
[M+HCOO]- 227.02060 141.6
[M+CH3COO]- 241.03625 143.7
[M+Na-2H]- 202.99707 134.5
[M]+ 182.02185 130.4
[M]- 182.02295 130.4
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

No patent data available for this compound.