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]+ 231.02411 148.2
[M+Na]+ 253.00605 158.5
[M-H]- 229.00955 153.4
[M+NH4]+ 248.05065 170.9
[M+K]+ 268.97999 153.8
[M+H-H2O]+ 213.01409 144.7
[M+HCOO]- 275.01503 161.3
[M+CH3COO]- 289.03068 183.6
[M+Na-2H]- 250.99150 152.1
[M]+ 230.01628 152.5
[M]- 230.01738 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