CID 137952010

1-(5-bromo-3-methylfuran-2-yl)-2-chloroethan-1-one

Structural Information

Molecular Formula
C7H6BrClO2
SMILES
CC1=C(OC(=C1)Br)C(=O)CCl
InChI
InChI=1S/C7H6BrClO2/c1-4-2-6(8)11-7(4)5(10)3-9/h2H,3H2,1H3
InChIKey
AVNINGNLPCQCJQ-UHFFFAOYSA-N
Compound name
1-(5-bromo-3-methylfuran-2-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.92397 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93125 140.9
[M+Na]+ 258.91319 155.2
[M-H]- 234.91669 148.5
[M+NH4]+ 253.95779 164.1
[M+K]+ 274.88713 144.3
[M+H-H2O]+ 218.92123 142.7
[M+HCOO]- 280.92217 158.6
[M+CH3COO]- 294.93782 185.8
[M+Na-2H]- 256.89864 146.8
[M]+ 235.92342 163.7
[M]- 235.92452 163.7
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.