CID 389910

Nsc686562

Structural Information

Molecular Formula
C16H14O6S2
SMILES
C1COS(=O)(=O)C(S(=O)(=O)O1)C2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C16H14O6S2/c17-23(18)16(24(19,20)22-10-9-21-23)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
InChIKey
PKRRPLNMRRULFN-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

366.0232 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03048 180.6
[M+Na]+ 389.01242 189.4
[M-H]- 365.01592 190.8
[M+NH4]+ 384.05702 197.2
[M+K]+ 404.98636 190.6
[M+H-H2O]+ 349.02046 177.0
[M+HCOO]- 411.02140 190.0
[M+CH3COO]- 425.03705 191.4
[M+Na-2H]- 386.99787 185.6
[M]+ 366.02265 183.6
[M]- 366.02375 183.6
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