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]+ 226.01686 143.6
[M+Na]+ 247.99880 154.0
[M-H]- 224.00230 146.4
[M+NH4]+ 243.04340 163.5
[M+K]+ 263.97274 150.8
[M+H-H2O]+ 208.00684 138.7
[M+HCOO]- 270.00778 159.8
[M+CH3COO]- 284.02343 183.1
[M+Na-2H]- 245.98425 145.3
[M]+ 225.00903 147.1
[M]- 225.01013 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.