CID 54343272

5,8-dichloronaphthalene-2-sulfonyl chloride

Structural Information

Molecular Formula
C10H5Cl3O2S
SMILES
C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3O2S/c11-9-3-4-10(12)8-5-6(16(13,14)15)1-2-7(8)9/h1-5H
InChIKey
UAMIPNMECXFCCA-UHFFFAOYSA-N
Compound name
5,8-dichloronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.9076 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.914876 152.8
[M+Na]+ 316.896818 165.4
[M-H]- 292.900324 157.2
[M+NH4]+ 311.941423 171.8
[M+K]+ 332.870758 158.9
[M+H-H2O]+ 276.904860 150.5
[M+HCOO]- 338.905801 156.2
[M+CH3COO]- 352.921451 195.5
[M+Na-2H]- 314.882266 157.3
[M]+ 293.90705142 159.4
[M]- 293.90814858 159.4
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