CID 13953829

76301-90-1

Structural Information

Molecular Formula
C10H9ClO2
SMILES
CC1=CC(=CC2=C1OCCC2=O)Cl
InChI
InChI=1S/C10H9ClO2/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5H,2-3H2,1H3
InChIKey
WCTQTQFZRIHBON-UHFFFAOYSA-N
Compound name
6-chloro-8-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

196.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 136.3
[M+Na]+ 219.018328 146.6
[M-H]- 195.021834 141.8
[M+NH4]+ 214.062933 156.9
[M+K]+ 234.992268 143.8
[M+H-H2O]+ 179.026370 131.8
[M+HCOO]- 241.027311 152.7
[M+CH3COO]- 255.042961 182.9
[M+Na-2H]- 217.003776 143.6
[M]+ 196.02856142 138.5
[M]- 196.02965858 138.5
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