CID 12196701

4-bromo-1-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CN1C=C(C=C1C=O)Br
InChI
InChI=1S/C6H6BrNO/c1-8-3-5(7)2-6(8)4-9/h2-4H,1H3
InChIKey
VEEDIVXHCKQZMS-UHFFFAOYSA-N
Compound name
4-bromo-1-methylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

186.96329 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 128.9
[M+Na]+ 209.952508 143.0
[M-H]- 185.956014 134.8
[M+NH4]+ 204.997113 153.2
[M+K]+ 225.926448 132.8
[M+H-H2O]+ 169.960550 129.5
[M+HCOO]- 231.961491 151.9
[M+CH3COO]- 245.977141 179.2
[M+Na-2H]- 207.937956 136.2
[M]+ 186.96274142 148.9
[M]- 186.96383858 148.9
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