CID 10845885

Methyl 2-bromofuran-3-carboxylate

Structural Information

Molecular Formula
C6H5BrO3
SMILES
COC(=O)C1=C(OC=C1)Br
InChI
InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
InChIKey
XXUUZVIMSVBWIQ-UHFFFAOYSA-N
Compound name
methyl 2-bromofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 133.7
[M+Na]+ 226.93143 146.5
[M-H]- 202.93493 141.2
[M+NH4]+ 221.97603 157.0
[M+K]+ 242.90537 138.6
[M+H-H2O]+ 186.93947 134.6
[M+HCOO]- 248.94041 156.4
[M+CH3COO]- 262.95606 179.6
[M+Na-2H]- 224.91688 141.2
[M]+ 203.94166 155.4
[M]- 203.94276 155.4
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