CID 118492345

42158-98-5

Structural Information

Molecular Formula
C12H8F2O8S3
SMILES
C1=CC(=CC=C1OS(=O)(=O)F)S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)F
InChI
InChI=1S/C12H8F2O8S3/c13-24(17,18)21-9-1-5-11(6-2-9)23(15,16)12-7-3-10(4-8-12)22-25(14,19)20/h1-8H
InChIKey
HLYHIXFVAKOJKN-UHFFFAOYSA-N
Compound name
1-fluorosulfonyloxy-4-(4-fluorosulfonyloxyphenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

413.93494 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.94222 188.4
[M+Na]+ 436.92416 196.4
[M-H]- 412.92766 190.9
[M+NH4]+ 431.96876 197.6
[M+K]+ 452.89810 190.1
[M+H-H2O]+ 396.93220 179.2
[M+HCOO]- 458.93314 192.9
[M+CH3COO]- 472.94879 210.4
[M+Na-2H]- 434.90961 194.4
[M]+ 413.93439 192.2
[M]- 413.93549 192.2
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