CID 389277

Nsc685030

Structural Information

Molecular Formula
C14H9ClO3S2
SMILES
C1CSC2(C3=C(C=CC(=C3)Cl)OC4=C2C(=O)C4=O)SC1
InChI
InChI=1S/C14H9ClO3S2/c15-7-2-3-9-8(6-7)14(19-4-1-5-20-14)10-11(16)12(17)13(10)18-9/h2-3,6H,1,4-5H2
InChIKey
KONCZATTXZERKD-UHFFFAOYSA-N
Compound name
6'-chlorospiro[1,3-dithiane-2,8'-cyclobuta[b]chromene]-1',2'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.96817 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.97545 146.6
[M+Na]+ 346.95739 155.7
[M-H]- 322.96089 153.8
[M+NH4]+ 342.00199 159.2
[M+K]+ 362.93133 154.3
[M+H-H2O]+ 306.96543 136.8
[M+HCOO]- 368.96637 150.4
[M+CH3COO]- 382.98202 158.4
[M+Na-2H]- 344.94284 153.3
[M]+ 323.96762 160.0
[M]- 323.96872 160.0
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.