CID 21236559

5-bromo-1,3-dioxaindan-2-one

Structural Information

Molecular Formula
C7H3BrO3
SMILES
C1=CC2=C(C=C1Br)OC(=O)O2
InChI
InChI=1S/C7H3BrO3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChIKey
UQWVVWRKDLHZCR-UHFFFAOYSA-N
Compound name
5-bromo-1,3-benzodioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.92656 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.93384 131.6
[M+Na]+ 236.91578 147.2
[M-H]- 212.91928 141.4
[M+NH4]+ 231.96038 154.6
[M+K]+ 252.88972 139.5
[M+H-H2O]+ 196.92382 133.3
[M+HCOO]- 258.92476 155.3
[M+CH3COO]- 272.94041 149.8
[M+Na-2H]- 234.90123 143.4
[M]+ 213.92601 155.7
[M]- 213.92711 155.7
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.