CID 385907

Nsc677369

Structural Information

Molecular Formula
C18H8F2O4S2
SMILES
C1=CC2=C(C=C1F)OC=C(C2=O)SSC3=COC4=C(C3=O)C=CC(=C4)F
InChI
InChI=1S/C18H8F2O4S2/c19-9-1-3-11-13(5-9)23-7-15(17(11)21)25-26-16-8-24-14-6-10(20)2-4-12(14)18(16)22/h1-8H
InChIKey
HZSCPEOBHAYHPB-UHFFFAOYSA-N
Compound name
7-fluoro-3-[(7-fluoro-4-oxochromen-3-yl)disulfanyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.98322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.99050 180.4
[M+Na]+ 412.97244 194.8
[M-H]- 388.97594 188.8
[M+NH4]+ 408.01704 192.7
[M+K]+ 428.94638 189.6
[M+H-H2O]+ 372.98048 171.2
[M+HCOO]- 434.98142 191.7
[M+CH3COO]- 448.99707 192.3
[M+Na-2H]- 410.95789 185.8
[M]+ 389.98267 188.5
[M]- 389.98377 188.5
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.