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

44
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 134.6
[M+Na]+ 209.95251 137.7
[M+NH4]+ 204.99711 139.4
[M+K]+ 225.92645 139.1
[M-H]- 185.95601 134.1
[M+Na-2H]- 207.93796 137.1
[M]+ 186.96274 133.6
[M]- 186.96384 133.6
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