CID 5278219

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

Structural Information

Molecular Formula
C9H10S2
SMILES
CC1=CC2=C(CSSC2)C=C1
InChI
InChI=1S/C9H10S2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-4H,5-6H2,1H3
InChIKey
KZBZQAQGOYPHPV-UHFFFAOYSA-N
Compound name
6-methyl-1,4-dihydro-2,3-benzodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

patents stripe