CID 363889

2-nitrodibenzothiophene 5,5-dioxide

Structural Information

Molecular Formula
C12H7NO4S
SMILES
C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H7NO4S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12,16)17/h1-7H
InChIKey
RKNBFSKANRFUQQ-UHFFFAOYSA-N
Compound name
2-nitrodibenzothiophene 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.00958 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01686 150.2
[M+Na]+ 283.99880 164.4
[M+NH4]+ 279.04340 160.9
[M+K]+ 299.97274 158.1
[M-H]- 260.00230 153.9
[M+Na-2H]- 281.98425 157.3
[M]+ 261.00903 153.8
[M]- 261.01013 153.8
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