CID 4291644

2-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

Structural Information

Molecular Formula
C10H9BrO4
SMILES
C1COC2=C(O1)C=C(C(=C2)Br)CC(=O)O
InChI
InChI=1S/C10H9BrO4/c11-7-5-9-8(14-1-2-15-9)3-6(7)4-10(12)13/h3,5H,1-2,4H2,(H,12,13)
InChIKey
RAWVTZMLRYXFNQ-UHFFFAOYSA-N
Compound name
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.9684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97568 150.9
[M+Na]+ 294.95762 161.1
[M-H]- 270.96112 157.7
[M+NH4]+ 290.00222 168.5
[M+K]+ 310.93156 153.1
[M+H-H2O]+ 254.96566 150.9
[M+HCOO]- 316.96660 166.4
[M+CH3COO]- 330.98225 190.8
[M+Na-2H]- 292.94307 158.9
[M]+ 271.96785 170.1
[M]- 271.96895 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.