CID 588007

N-fluorobenzenesulfonimide

Structural Information

Molecular Formula
C12H10FNO4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
InChIKey
RLKHFSNWQCZBDC-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-N-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

11040
Patents

315.00354 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01082 166.4
[M+Na]+ 337.99276 174.3
[M-H]- 313.99626 172.7
[M+NH4]+ 333.03736 180.9
[M+K]+ 353.96670 169.8
[M+H-H2O]+ 298.00080 158.1
[M+HCOO]- 360.00174 179.5
[M+CH3COO]- 374.01739 201.1
[M+Na-2H]- 335.97821 171.9
[M]+ 315.00299 168.8
[M]- 315.00409 168.8
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