CID 80147726

1502219-54-6

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1COC2=CC=CC=C2C1C(=O)CBr
InChI
InChI=1S/C11H11BrO2/c12-7-10(13)8-5-6-14-11-4-2-1-3-9(8)11/h1-4,8H,5-7H2
InChIKey
UESLKEITEIKOLL-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99425 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.001526 148.7
[M+Na]+ 276.983468 158.5
[M-H]- 252.986974 155.9
[M+NH4]+ 272.028073 168.9
[M+K]+ 292.957408 149.2
[M+H-H2O]+ 236.991510 148.9
[M+HCOO]- 298.992451 166.0
[M+CH3COO]- 313.008101 190.6
[M+Na-2H]- 274.968916 156.7
[M]+ 253.99370142 166.4
[M]- 253.99479858 166.4
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.