CID 5375229

27452-00-2

Structural Information

Molecular Formula
C10H7BrO4
SMILES
C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)O)Br
InChI
InChI=1S/C10H7BrO4/c11-7-4-9-8(14-5-15-9)3-6(7)1-2-10(12)13/h1-4H,5H2,(H,12,13)/b2-1+
InChIKey
FIFYPFARGVBVGX-OWOJBTEDSA-N
Compound name
(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.95276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96004 150.8
[M+Na]+ 292.94198 152.9
[M+NH4]+ 287.98658 154.5
[M+K]+ 308.91592 155.9
[M-H]- 268.94548 151.8
[M+Na-2H]- 290.92743 150.4
[M]+ 269.95221 150.0
[M]- 269.95331 150.0
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.