CID 24778124

944109-65-3

Structural Information

Molecular Formula
C10H9ClO2
SMILES
COC1=C(C2=C(C=C1)C(=O)CC2)Cl
InChI
InChI=1S/C10H9ClO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3
InChIKey
RNDMOLOBKVJEMH-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

196.02911 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 138.0
[M+Na]+ 219.018328 149.2
[M-H]- 195.021834 143.2
[M+NH4]+ 214.062933 161.8
[M+K]+ 234.992268 145.1
[M+H-H2O]+ 179.026370 134.0
[M+HCOO]- 241.027311 157.5
[M+CH3COO]- 255.042961 182.5
[M+Na-2H]- 217.003776 142.9
[M]+ 196.02856142 141.7
[M]- 196.02965858 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