CID 12742280

4,5-dibromo-1-methyl-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C5H4Br2N2O
SMILES
CN1C(=NC(=C1Br)Br)C=O
InChI
InChI=1S/C5H4Br2N2O/c1-9-3(2-10)8-4(6)5(9)7/h2H,1H3
InChIKey
JHXYRJRSLIYZAM-UHFFFAOYSA-N
Compound name
4,5-dibromo-1-methylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.86905 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.87633 128.6
[M+Na]+ 288.85827 142.6
[M-H]- 264.86177 134.4
[M+NH4]+ 283.90287 148.9
[M+K]+ 304.83221 127.8
[M+H-H2O]+ 248.86631 136.8
[M+HCOO]- 310.86725 145.6
[M+CH3COO]- 324.88290 198.4
[M+Na-2H]- 286.84372 136.0
[M]+ 265.86850 164.2
[M]- 265.86960 164.2
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