CID 599627

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

Structural Information

Molecular Formula
C5H4BrNO
SMILES
C1=C(NC=C1Br)C=O
InChI
InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChIKey
RFQYNGQAZZSGFM-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

172.94763 Da
Monoisotopic Mass

1.2
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

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Patent stripe

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