CID 44718432

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

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=C(NC(=C1Br)C)C=O
InChI
InChI=1S/C7H8BrNO/c1-4-6(3-10)9-5(2)7(4)8/h3,9H,1-2H3
InChIKey
MZWOWXCHTRXTRI-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

200.97893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 134.1
[M+Na]+ 223.968148 148.1
[M-H]- 199.971654 138.8
[M+NH4]+ 219.012753 157.4
[M+K]+ 239.942088 136.7
[M+H-H2O]+ 183.976190 134.7
[M+HCOO]- 245.977131 155.2
[M+CH3COO]- 259.992781 180.6
[M+Na-2H]- 221.953596 139.6
[M]+ 200.97838142 152.9
[M]- 200.97947858 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

patents stripe