CID 10903022

98045-13-7

Structural Information

Molecular Formula
C12H6ClNO5S
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])OC3=C2C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C12H6ClNO5S/c13-20(17,18)8-2-4-11-10(6-8)9-3-1-7(14(15)16)5-12(9)19-11/h1-6H
InChIKey
VODKZJIRRUAGHK-UHFFFAOYSA-N
Compound name
7-nitrodibenzofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

310.9655 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.97278 162.9
[M+Na]+ 333.95472 174.1
[M-H]- 309.95822 170.5
[M+NH4]+ 328.99932 180.8
[M+K]+ 349.92866 166.7
[M+H-H2O]+ 293.96276 163.5
[M+HCOO]- 355.96370 178.0
[M+CH3COO]- 369.97935 192.5
[M+Na-2H]- 331.94017 172.8
[M]+ 310.96495 170.4
[M]- 310.96605 170.4
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