CID 2758030

8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-sulfonyl chloride

Structural Information

Molecular Formula
C12H7ClO3S
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)Cl
InChI
InChI=1S/C12H7ClO3S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey
ULCKEERECJMLHP-UHFFFAOYSA-N
Compound name
dibenzofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

265.98044 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98772 152.9
[M+Na]+ 288.96966 166.7
[M-H]- 264.97316 160.8
[M+NH4]+ 284.01426 174.2
[M+K]+ 304.94360 162.5
[M+H-H2O]+ 248.97770 149.4
[M+HCOO]- 310.97864 167.6
[M+CH3COO]- 324.99429 167.8
[M+Na-2H]- 286.95511 161.1
[M]+ 265.97989 162.1
[M]- 265.98099 162.1
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