CID 60119521

5-bromo-4-methylfuran-2-carbaldehyde

Structural Information

Molecular Formula
C6H5BrO2
SMILES
CC1=C(OC(=C1)C=O)Br
InChI
InChI=1S/C6H5BrO2/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3
InChIKey
MRBPTPZVRAXMAR-UHFFFAOYSA-N
Compound name
5-bromo-4-methylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.9473 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95458 132.4
[M+Na]+ 210.93652 135.6
[M+NH4]+ 205.98112 137.3
[M+K]+ 226.91046 137.7
[M-H]- 186.94002 133.4
[M+Na-2H]- 208.92197 134.6
[M]+ 187.94675 131.9
[M]- 187.94785 131.9
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