CID 292373

3-(hexadecylsulfamoyl)-benzenesulfonyl fluoride

Structural Information

Molecular Formula
C22H38FNO4S2
SMILES
CCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C22H38FNO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-30(27,28)22-18-16-17-21(20-22)29(23,25)26/h16-18,20,24H,2-15,19H2,1H3
InChIKey
VBBIYHGNXKQDEZ-UHFFFAOYSA-N
Compound name
3-(hexadecylsulfamoyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.22263 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22991 210.6
[M+Na]+ 486.21185 212.9
[M-H]- 462.21535 209.9
[M+NH4]+ 481.25645 219.0
[M+K]+ 502.18579 205.2
[M+H-H2O]+ 446.21989 201.0
[M+HCOO]- 508.22083 218.3
[M+CH3COO]- 522.23648 232.1
[M+Na-2H]- 484.19730 209.4
[M]+ 463.22208 217.8
[M]- 463.22318 217.8
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

No patent data available for this compound.