CID 3000658

63520-87-6

Structural Information

Molecular Formula
C19H12O4S2
SMILES
COC1=CC=C(C=C1)C2=C/C(=C/3\C(=O)C4=CC=CC=C4OC3=O)/SS2
InChI
InChI=1S/C19H12O4S2/c1-22-12-8-6-11(7-9-12)15-10-16(25-24-15)17-18(20)13-4-2-3-5-14(13)23-19(17)21/h2-10H,1H3/b17-16-
InChIKey
BVBKKOXITCDGMK-MSUUIHNZSA-N
Compound name
(3Z)-3-[5-(4-methoxyphenyl)dithiol-3-ylidene]chromene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0177 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02498 182.3
[M+Na]+ 391.00692 192.2
[M-H]- 367.01042 193.8
[M+NH4]+ 386.05152 197.2
[M+K]+ 406.98086 187.0
[M+H-H2O]+ 351.01496 176.5
[M+HCOO]- 413.01590 193.6
[M+CH3COO]- 427.03155 193.6
[M+Na-2H]- 388.99237 181.7
[M]+ 368.01715 185.8
[M]- 368.01825 185.8
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.