CID 22178787

2-chloronaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H6Cl2O2S
SMILES
C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)Cl)Cl
InChI
InChI=1S/C10H6Cl2O2S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H
InChIKey
SPRZLGGRDIRMRD-UHFFFAOYSA-N
Compound name
2-chloronaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

259.94656 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

patents stripe