CID 92133432

1853176-79-0

Structural Information

Molecular Formula
C9H7BrO3
SMILES
C1COC2=C(O1)C=CC(=C2Br)C=O
InChI
InChI=1S/C9H7BrO3/c10-8-6(5-11)1-2-7-9(8)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey
SNRCZGNEJYEAHQ-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

241.95786 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.965136 142.0
[M+Na]+ 264.947078 153.7
[M-H]- 240.950584 150.4
[M+NH4]+ 259.991683 161.7
[M+K]+ 280.921018 145.9
[M+H-H2O]+ 224.955120 142.4
[M+HCOO]- 286.956061 160.2
[M+CH3COO]- 300.971711 187.4
[M+Na-2H]- 262.932526 152.3
[M]+ 241.95731142 162.0
[M]- 241.95840858 162.0
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