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]+ 211.05203 139.7
[M+Na]+ 233.03397 150.6
[M-H]- 209.03747 145.5
[M+NH4]+ 228.07857 161.8
[M+K]+ 249.00791 147.7
[M+H-H2O]+ 193.04201 135.6
[M+HCOO]- 255.04295 155.8
[M+CH3COO]- 269.05860 185.4
[M+Na-2H]- 231.01942 147.7
[M]+ 210.04420 142.6
[M]- 210.04530 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.