CID 21901305

2-(1-naphthyl)ethanesulfonyl chloride

Structural Information

Molecular Formula
C12H11ClO2S
SMILES
C1=CC=C2C(=C1)C=CC=C2CCS(=O)(=O)Cl
InChI
InChI=1S/C12H11ClO2S/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKey
IAZQBUVCHCLINF-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

254.01683 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02411 150.9
[M+Na]+ 277.00605 161.2
[M-H]- 253.00955 156.0
[M+NH4]+ 272.05065 170.7
[M+K]+ 292.97999 155.6
[M+H-H2O]+ 237.01409 146.3
[M+HCOO]- 299.01503 164.0
[M+CH3COO]- 313.03068 189.3
[M+Na-2H]- 274.99150 157.4
[M]+ 254.01628 156.4
[M]- 254.01738 156.4
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