CID 10921476

344305-70-0

Structural Information

Molecular Formula
C10H9ClO2
SMILES
COC1=C(C=C2CCC(=O)C2=C1)Cl
InChI
InChI=1S/C10H9ClO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChIKey
XIUZEIYKEBEXIB-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

196.02911 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 138.0
[M+Na]+ 219.01833 149.2
[M-H]- 195.02183 143.2
[M+NH4]+ 214.06293 161.8
[M+K]+ 234.99227 145.1
[M+H-H2O]+ 179.02637 134.0
[M+HCOO]- 241.02731 157.5
[M+CH3COO]- 255.04296 182.5
[M+Na-2H]- 217.00378 142.9
[M]+ 196.02856 141.7
[M]- 196.02966 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe