CID 129931315

4-bromo-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C5H4BrNO
SMILES
C1=C(C(=CN1)Br)C=O
InChI
InChI=1S/C5H4BrNO/c6-5-2-7-1-4(5)3-8/h1-3,7H
InChIKey
YPHTZOJAYSPYBS-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.94763 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.95491 131.7
[M+Na]+ 195.93685 134.1
[M+NH4]+ 190.98145 136.3
[M+K]+ 211.91079 135.8
[M-H]- 171.94035 130.7
[M+Na-2H]- 193.92230 134.1
[M]+ 172.94708 130.4
[M]- 172.94818 130.4
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.