CID 284320

2-anthracenesulfonyl chloride

Structural Information

Molecular Formula
C14H9ClO2S
SMILES
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)S(=O)(=O)Cl
InChI
InChI=1S/C14H9ClO2S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKey
FZAQROFXYZPAKI-UHFFFAOYSA-N
Compound name
anthracene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1203
Patents

276.0012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00848 154.8
[M+Na]+ 298.99042 167.5
[M-H]- 274.99392 161.4
[M+NH4]+ 294.03502 174.9
[M+K]+ 314.96436 161.0
[M+H-H2O]+ 258.99846 149.9
[M+HCOO]- 320.99940 168.5
[M+CH3COO]- 335.01505 168.5
[M+Na-2H]- 296.97587 163.9
[M]+ 276.00065 161.8
[M]- 276.00175 161.8
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