CID 15288414

Pimso2h

Structural Information

Molecular Formula
C9H7NO4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CS(=O)O
InChI
InChI=1S/C9H7NO4S/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-15(13)14/h1-4H,5H2,(H,13,14)
InChIKey
CNTSNLFZLLSQCU-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl)methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

225.00958 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.016856 143.6
[M+Na]+ 247.998798 154.0
[M-H]- 224.002304 146.4
[M+NH4]+ 243.043403 163.5
[M+K]+ 263.972738 150.8
[M+H-H2O]+ 208.006840 138.7
[M+HCOO]- 270.007781 159.8
[M+CH3COO]- 284.023431 183.1
[M+Na-2H]- 245.984246 145.3
[M]+ 225.00903142 147.1
[M]- 225.01012858 147.1
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

No patent data available for this compound.