CID 2794797

5-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid

Structural Information

Molecular Formula
C9H7BrO3
SMILES
C1COC2=C1C=C(C=C2C(=O)O)Br
InChI
InChI=1S/C9H7BrO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2,(H,11,12)
InChIKey
LEBMKAXASFPSFA-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

241.95786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96514 145.3
[M+Na]+ 264.94708 157.3
[M-H]- 240.95058 152.2
[M+NH4]+ 259.99168 167.4
[M+K]+ 280.92102 147.9
[M+H-H2O]+ 224.95512 146.5
[M+HCOO]- 286.95606 164.1
[M+CH3COO]- 300.97171 185.2
[M+Na-2H]- 262.93253 151.7
[M]+ 241.95731 164.3
[M]- 241.95841 164.3
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