CID 82659058

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

Structural Information

Molecular Formula
C6H5BrO3
SMILES
CC1=CC(=C(O1)Br)C(=O)O
InChI
InChI=1S/C6H5BrO3/c1-3-2-4(6(8)9)5(7)10-3/h2H,1H3,(H,8,9)
InChIKey
FFQQITAFZBHMDX-UHFFFAOYSA-N
Compound name
2-bromo-5-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.94221 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.94949 133.9
[M+Na]+ 226.93143 146.9
[M-H]- 202.93493 140.3
[M+NH4]+ 221.97603 156.6
[M+K]+ 242.90537 138.0
[M+H-H2O]+ 186.93947 135.0
[M+HCOO]- 248.94041 155.0
[M+CH3COO]- 262.95606 178.9
[M+Na-2H]- 224.91688 140.2
[M]+ 203.94166 154.1
[M]- 203.94276 154.1
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.