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]+ 187.97057 128.9
[M+Na]+ 209.95251 143.0
[M-H]- 185.95601 134.8
[M+NH4]+ 204.99711 153.2
[M+K]+ 225.92645 132.8
[M+H-H2O]+ 169.96055 129.5
[M+HCOO]- 231.96149 151.9
[M+CH3COO]- 245.97714 179.2
[M+Na-2H]- 207.93796 136.2
[M]+ 186.96274 148.9
[M]- 186.96384 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