CID 14815961

1-oxo-2,3-dihydro-1h-indene-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClO3S
SMILES
C1CC(=O)C2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO3S/c10-14(12,13)7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey
NJSUBYHQKUOESQ-UHFFFAOYSA-N
Compound name
1-oxo-2,3-dihydroindene-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

229.98044 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98772 145.4
[M+Na]+ 252.96966 157.0
[M-H]- 228.97316 151.0
[M+NH4]+ 248.01426 168.1
[M+K]+ 268.94360 152.5
[M+H-H2O]+ 212.97770 142.3
[M+HCOO]- 274.97864 159.1
[M+CH3COO]- 288.99429 182.9
[M+Na-2H]- 250.95511 149.4
[M]+ 229.97989 150.4
[M]- 229.98099 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