CID 55280421

(2,3-dihydro-1h-inden-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1C(CC2=CC=CC=C21)CS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)7-8-5-9-3-1-2-4-10(9)6-8/h1-4,8H,5-7H2
InChIKey
DDZMCVFQOSFEAN-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-2-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.01683 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.024106 148.2
[M+Na]+ 253.006048 158.5
[M-H]- 229.009554 153.4
[M+NH4]+ 248.050653 170.9
[M+K]+ 268.979988 153.8
[M+H-H2O]+ 213.014090 144.7
[M+HCOO]- 275.015031 161.3
[M+CH3COO]- 289.030681 183.6
[M+Na-2H]- 250.991496 152.1
[M]+ 230.01628142 152.5
[M]- 230.01737858 152.5
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