CID 165773067

3-(bromomethyl)-6-chloro-2-methyl-4h-chromen-4-one

Structural Information

Molecular Formula
C11H8BrClO2
SMILES
CC1=C(C(=O)C2=C(O1)C=CC(=C2)Cl)CBr
InChI
InChI=1S/C11H8BrClO2/c1-6-9(5-12)11(14)8-4-7(13)2-3-10(8)15-6/h2-4H,5H2,1H3
InChIKey
OEGDNIDTJSCHGZ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-6-chloro-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9396 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94688 149.0
[M+Na]+ 308.92882 164.6
[M-H]- 284.93232 157.7
[M+NH4]+ 303.97342 170.1
[M+K]+ 324.90276 152.8
[M+H-H2O]+ 268.93686 150.3
[M+HCOO]- 330.93780 165.6
[M+CH3COO]- 344.95345 196.1
[M+Na-2H]- 306.91427 157.8
[M]+ 285.93905 173.1
[M]- 285.94015 173.1
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.