CID 22119022

255895-78-4

Structural Information

Molecular Formula
C9H7ClO3S
SMILES
C1CC(=O)C2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO3S/c10-14(12,13)7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKey
LRHGGWRIMQOJLM-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroindene-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

229.98044 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.987716 145.4
[M+Na]+ 252.969658 157.0
[M-H]- 228.973164 151.0
[M+NH4]+ 248.014263 168.1
[M+K]+ 268.943598 152.5
[M+H-H2O]+ 212.977700 142.3
[M+HCOO]- 274.978641 159.1
[M+CH3COO]- 288.994291 182.9
[M+Na-2H]- 250.955106 149.4
[M]+ 229.97989142 150.4
[M]- 229.98098858 150.4
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