CID 4868359

2-chloro-1-(2,3-dihydro-1h-inden-5-yl)propan-1-one

Structural Information

Molecular Formula
C12H13ClO
SMILES
CC(C(=O)C1=CC2=C(CCC2)C=C1)Cl
InChI
InChI=1S/C12H13ClO/c1-8(13)12(14)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3
InChIKey
CQOVKKPNERBRNR-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06549 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07277 146.1
[M+Na]+ 231.05471 154.1
[M-H]- 207.05821 150.3
[M+NH4]+ 226.09931 168.7
[M+K]+ 247.02865 149.7
[M+H-H2O]+ 191.06275 141.5
[M+HCOO]- 253.06369 162.7
[M+CH3COO]- 267.07934 185.9
[M+Na-2H]- 229.04016 148.6
[M]+ 208.06494 147.0
[M]- 208.06604 147.0
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