CID 23444872

5-bromo-3-methylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C6H5BrO3
SMILES
CC1=C(OC(=C1)Br)C(=O)O
InChI
InChI=1S/C6H5BrO3/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9)
InChIKey
WXEJPQJVASKGHW-UHFFFAOYSA-N
Compound name
5-bromo-3-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

203.94221 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.94949 135.7
[M+Na]+ 226.93143 137.7
[M+NH4]+ 221.97603 139.7
[M+K]+ 242.90537 141.2
[M-H]- 202.93493 135.6
[M+Na-2H]- 224.91688 136.7
[M]+ 203.94166 134.6
[M]- 203.94276 134.6
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