CID 117048

2-naphthalenecarbonyl chloride, 5-[[[3-(fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-

Structural Information

Molecular Formula
C17H11ClFNO6S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)S(=O)(=O)NC2=CC=CC3=C2C=CC(=C3O)C(=O)Cl
InChI
InChI=1S/C17H11ClFNO6S2/c18-17(22)14-8-7-12-13(16(14)21)5-2-6-15(12)20-28(25,26)11-4-1-3-10(9-11)27(19,23)24/h1-9,20-21H
InChIKey
CMXGBVKIUVFXRA-UHFFFAOYSA-N
Compound name
5-[(3-fluorosulfonylphenyl)sulfonylamino]-1-hydroxynaphthalene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.97003 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.97731 190.9
[M+Na]+ 465.95925 199.7
[M-H]- 441.96275 195.8
[M+NH4]+ 461.00385 201.1
[M+K]+ 481.93319 192.9
[M+H-H2O]+ 425.96729 184.3
[M+HCOO]- 487.96823 195.4
[M+CH3COO]- 501.98388 221.1
[M+Na-2H]- 463.94470 196.4
[M]+ 442.96948 196.6
[M]- 442.97058 196.6
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

No patent data available for this compound.