CID 262936

57212-70-1

Structural Information

Molecular Formula
C9H7NO5S
SMILES
CS(=O)(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H7NO5S/c1-16(13,14)15-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
MZVIAOIHWLOXPX-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1112
Patents

241.00449 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01177 150.2
[M+Na]+ 263.99371 160.7
[M+NH4]+ 259.03831 156.5
[M+K]+ 279.96765 156.8
[M-H]- 239.99721 148.9
[M+Na-2H]- 261.97916 152.8
[M]+ 241.00394 151.5
[M]- 241.00504 151.5
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

patents stripe