CID 10560525

7-bromo-3,4-dihydro-1h-2-benzopyran

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1COCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H9BrO/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5H,3-4,6H2
InChIKey
CHBQZLRHIRLMBX-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-1H-isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

211.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 137.3
[M+Na]+ 234.972888 148.0
[M-H]- 210.976394 144.8
[M+NH4]+ 230.017493 159.4
[M+K]+ 250.946828 138.9
[M+H-H2O]+ 194.980930 138.0
[M+HCOO]- 256.981871 155.9
[M+CH3COO]- 270.997521 152.7
[M+Na-2H]- 232.958336 147.5
[M]+ 211.98312142 154.2
[M]- 211.98421858 154.2
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