CID 66560

1-naphthalenesulfonyl chloride

Structural Information

Molecular Formula
C10H7ClO2S
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
DASJFYAPNPUBGG-UHFFFAOYSA-N
Compound name
naphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6227
Patents

225.98553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99281 141.7
[M+Na]+ 248.97475 152.9
[M-H]- 224.97825 147.2
[M+NH4]+ 244.01935 162.6
[M+K]+ 264.94869 147.8
[M+H-H2O]+ 208.98279 137.5
[M+HCOO]- 270.98373 155.5
[M+CH3COO]- 284.99938 183.3
[M+Na-2H]- 246.96020 149.3
[M]+ 225.98498 146.5
[M]- 225.98608 146.5
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