CID 5081860

1-methoxythianthrene

Structural Information

Molecular Formula
C13H10OS2
SMILES
COC1=C2C(=CC=C1)SC3=CC=CC=C3S2
InChI
InChI=1S/C13H10OS2/c1-14-9-5-4-8-12-13(9)16-11-7-3-2-6-10(11)15-12/h2-8H,1H3
InChIKey
GOBVYINQRVPRKX-UHFFFAOYSA-N
Compound name
1-methoxythianthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

246.0173 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02458 144.9
[M+Na]+ 269.00652 154.7
[M-H]- 245.01002 150.1
[M+NH4]+ 264.05112 165.4
[M+K]+ 284.98046 149.4
[M+H-H2O]+ 229.01456 139.5
[M+HCOO]- 291.01550 156.3
[M+CH3COO]- 305.03115 157.6
[M+Na-2H]- 266.99197 151.1
[M]+ 246.01675 148.2
[M]- 246.01785 148.2
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

patents stripe