CID 20449206

2,3-dihydro-1h-indene-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO2S
SMILES
C1CC2=C(C1)C(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO2S/c10-13(11,12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChIKey
ASDZDDGKAZUXIJ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.00117 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00845 143.6
[M+Na]+ 238.99039 154.3
[M-H]- 214.99389 148.9
[M+NH4]+ 234.03499 166.8
[M+K]+ 254.96433 149.9
[M+H-H2O]+ 198.99843 140.3
[M+HCOO]- 260.99937 157.0
[M+CH3COO]- 275.01502 180.6
[M+Na-2H]- 236.97584 148.0
[M]+ 216.00062 147.5
[M]- 216.00172 147.5
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