CID 15354433

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

Structural Information

Molecular Formula
C6H5Br2NO
SMILES
CN1C(=CC(=C1Br)Br)C=O
InChI
InChI=1S/C6H5Br2NO/c1-9-4(3-10)2-5(7)6(9)8/h2-3H,1H3
InChIKey
IVRVZOTUFSXMCV-UHFFFAOYSA-N
Compound name
4,5-dibromo-1-methylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.87378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.88106 132.4
[M+Na]+ 287.86300 146.0
[M-H]- 263.86650 139.1
[M+NH4]+ 282.90760 153.7
[M+K]+ 303.83694 131.0
[M+H-H2O]+ 247.87104 140.8
[M+HCOO]- 309.87198 149.9
[M+CH3COO]- 323.88763 198.6
[M+Na-2H]- 285.84845 139.1
[M]+ 264.87323 167.7
[M]- 264.87433 167.7
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.