CID 14195259

1,2-benzenedisulfonyl fluoride

Structural Information

Molecular Formula
C6H4F2O4S2
SMILES
C1=CC=C(C(=C1)S(=O)(=O)F)S(=O)(=O)F
InChI
InChI=1S/C6H4F2O4S2/c7-13(9,10)5-3-1-2-4-6(5)14(8,11)12/h1-4H
InChIKey
DNXLZBKMVRTNHQ-UHFFFAOYSA-N
Compound name
benzene-1,2-disulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

241.9519 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95918 142.3
[M+Na]+ 264.94112 152.7
[M-H]- 240.94462 143.7
[M+NH4]+ 259.98572 160.0
[M+K]+ 280.91506 148.3
[M+H-H2O]+ 224.94916 135.3
[M+HCOO]- 286.95010 153.1
[M+CH3COO]- 300.96575 183.2
[M+Na-2H]- 262.92657 146.4
[M]+ 241.95135 143.8
[M]- 241.95245 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe