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

42
Patents

245.95277 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96005 144.8
[M+Na]+ 268.94199 156.5
[M-H]- 244.94549 152.0
[M+NH4]+ 263.98659 166.1
[M+K]+ 284.91593 148.4
[M+H-H2O]+ 228.95003 145.2
[M+HCOO]- 290.95097 166.2
[M+CH3COO]- 304.96662 187.1
[M+Na-2H]- 266.92744 150.0
[M]+ 245.95222 167.2
[M]- 245.95332 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