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

16
Patents

196.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 136.3
[M+Na]+ 219.01833 146.6
[M-H]- 195.02183 141.8
[M+NH4]+ 214.06293 156.9
[M+K]+ 234.99227 143.8
[M+H-H2O]+ 179.02637 131.8
[M+HCOO]- 241.02731 152.7
[M+CH3COO]- 255.04296 182.9
[M+Na-2H]- 217.00378 143.6
[M]+ 196.02856 138.5
[M]- 196.02966 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