CID 16772030

4-ethoxynaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H11ClO3S
SMILES
CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)Cl
InChI
InChI=1S/C12H11ClO3S/c1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKey
UMUUBVDEZWLVED-UHFFFAOYSA-N
Compound name
4-ethoxynaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

270.01175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01903 153.7
[M+Na]+ 293.00097 164.6
[M-H]- 269.00447 159.1
[M+NH4]+ 288.04557 173.0
[M+K]+ 308.97491 159.7
[M+H-H2O]+ 253.00901 149.1
[M+HCOO]- 315.00995 167.0
[M+CH3COO]- 329.02560 192.5
[M+Na-2H]- 290.98642 159.8
[M]+ 270.01120 161.1
[M]- 270.01230 161.1
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