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

4
Patents

265.86905 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.876326 128.6
[M+Na]+ 288.858268 142.6
[M-H]- 264.861774 134.4
[M+NH4]+ 283.902873 148.9
[M+K]+ 304.832208 127.8
[M+H-H2O]+ 248.866310 136.8
[M+HCOO]- 310.867251 145.6
[M+CH3COO]- 324.882901 198.4
[M+Na-2H]- 286.843716 136.0
[M]+ 265.86850142 164.2
[M]- 265.86959858 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