CID 14945157

Methyl 5-(2-bromoacetyl)furan-2-carboxylate

Structural Information

Molecular Formula
C8H7BrO4
SMILES
COC(=O)C1=CC=C(O1)C(=O)CBr
InChI
InChI=1S/C8H7BrO4/c1-12-8(11)7-3-2-6(13-7)5(10)4-9/h2-3H,4H2,1H3
InChIKey
BUSSGMGLYDSPOV-UHFFFAOYSA-N
Compound name
methyl 5-(2-bromoacetyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

245.95277 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.960046 144.8
[M+Na]+ 268.941988 156.5
[M-H]- 244.945494 152.0
[M+NH4]+ 263.986593 166.1
[M+K]+ 284.915928 148.4
[M+H-H2O]+ 228.950030 145.2
[M+HCOO]- 290.950971 166.2
[M+CH3COO]- 304.966621 187.1
[M+Na-2H]- 266.927436 150.0
[M]+ 245.95222142 167.2
[M]- 245.95331858 167.2
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