CID 59692078

6-bromo-3,4-dihydro-2h-1-benzopyran-8-carbaldehyde

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1CC2=C(C(=CC(=C2)Br)C=O)OC1
InChI
InChI=1S/C10H9BrO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2
InChIKey
DPBZAXYEYVZIKC-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-chromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

239.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 142.9
[M+Na]+ 262.96781 154.3
[M-H]- 238.97131 150.6
[M+NH4]+ 258.01241 164.1
[M+K]+ 278.94175 144.8
[M+H-H2O]+ 222.97585 143.4
[M+HCOO]- 284.97679 161.5
[M+CH3COO]- 298.99244 188.1
[M+Na-2H]- 260.95326 152.0
[M]+ 239.97804 161.3
[M]- 239.97914 161.3
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