CID 73254518

4-bromo-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=C(C(=C(N1)C)Br)C=O
InChI
InChI=1S/C7H8BrNO/c1-4-6(3-10)7(8)5(2)9-4/h3,9H,1-2H3
InChIKey
BXEHDSOTEZIZEJ-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 134.1
[M+Na]+ 223.96815 148.1
[M-H]- 199.97165 138.8
[M+NH4]+ 219.01275 157.4
[M+K]+ 239.94209 136.7
[M+H-H2O]+ 183.97619 134.7
[M+HCOO]- 245.97713 155.2
[M+CH3COO]- 259.99278 180.6
[M+Na-2H]- 221.95360 139.6
[M]+ 200.97838 152.9
[M]- 200.97948 152.9
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

No patent data available for this compound.