CID 12732997

80055-87-4

Structural Information

Molecular Formula
C11H11ClO2
SMILES
CC1(CC(=O)C2=C(O1)C(=CC=C2)Cl)C
InChI
InChI=1S/C11H11ClO2/c1-11(2)6-9(13)7-4-3-5-8(12)10(7)14-11/h3-5H,6H2,1-2H3
InChIKey
CXEQUCKCWMIAIS-UHFFFAOYSA-N
Compound name
8-chloro-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 139.7
[M+Na]+ 233.033968 150.6
[M-H]- 209.037474 145.5
[M+NH4]+ 228.078573 161.8
[M+K]+ 249.007908 147.7
[M+H-H2O]+ 193.042010 135.6
[M+HCOO]- 255.042951 155.8
[M+CH3COO]- 269.058601 185.4
[M+Na-2H]- 231.019416 147.7
[M]+ 210.04420142 142.6
[M]- 210.04529858 142.6
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

No patent data available for this compound.