CID 221004

5-chloronaphthalene-1-sulphonyl chloride

Structural Information

Molecular Formula
C10H6Cl2O2S
SMILES
C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H6Cl2O2S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H
InChIKey
ZELWQFZGPMGHRI-UHFFFAOYSA-N
Compound name
5-chloronaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

259.94656 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.953836 147.1
[M+Na]+ 282.935778 159.3
[M-H]- 258.939284 152.3
[M+NH4]+ 277.980383 167.3
[M+K]+ 298.909718 153.2
[M+H-H2O]+ 242.943820 143.9
[M+HCOO]- 304.944761 155.8
[M+CH3COO]- 318.960411 189.1
[M+Na-2H]- 280.921226 153.3
[M]+ 259.94601142 153.3
[M]- 259.94710858 153.3
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