CID 18507796

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

Structural Information

Molecular Formula
C9H5BrO3
SMILES
C1C2=C(C=C(C=C2)Br)C(=O)OC1=O
InChI
InChI=1S/C9H5BrO3/c10-6-2-1-5-3-8(11)13-9(12)7(5)4-6/h1-2,4H,3H2
InChIKey
WANGWCBXVJULNK-UHFFFAOYSA-N
Compound name
7-bromo-4H-isochromene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

239.94221 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94949 138.6
[M+Na]+ 262.93143 151.4
[M-H]- 238.93493 146.8
[M+NH4]+ 257.97603 159.9
[M+K]+ 278.90537 142.1
[M+H-H2O]+ 222.93947 139.3
[M+HCOO]- 284.94041 157.9
[M+CH3COO]- 298.95606 187.6
[M+Na-2H]- 260.91688 147.8
[M]+ 239.94166 157.8
[M]- 239.94276 157.8
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