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]+ 188.954576 129.2
[M+Na]+ 210.936518 143.2
[M-H]- 186.940024 137.0
[M+NH4]+ 205.981123 153.5
[M+K]+ 226.910458 134.4
[M+H-H2O]+ 170.944560 130.6
[M+HCOO]- 232.945501 152.6
[M+CH3COO]- 246.961151 178.6
[M+Na-2H]- 208.921966 137.4
[M]+ 187.94675142 150.6
[M]- 187.94784858 150.6
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