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]+ 294.91488 152.8
[M+Na]+ 316.89682 165.4
[M-H]- 292.90032 157.2
[M+NH4]+ 311.94142 171.8
[M+K]+ 332.87076 158.9
[M+H-H2O]+ 276.90486 150.5
[M+HCOO]- 338.90580 156.2
[M+CH3COO]- 352.92145 195.5
[M+Na-2H]- 314.88227 157.3
[M]+ 293.90705 159.4
[M]- 293.90815 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