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

No literature data available for this compound.

Patent stripe

patents stripe