CID 4715222

1-(4-bromo-3-methylphenyl)-1h-pyrrole

Structural Information

Molecular Formula
C11H10BrN
SMILES
CC1=C(C=CC(=C1)N2C=CC=C2)Br
InChI
InChI=1S/C11H10BrN/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h2-8H,1H3
InChIKey
ONKNDOCCQBESLK-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-methylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.99966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.006936 144.0
[M+Na]+ 257.988878 157.0
[M-H]- 233.992384 152.7
[M+NH4]+ 253.033483 166.3
[M+K]+ 273.962818 145.7
[M+H-H2O]+ 217.996920 143.8
[M+HCOO]- 279.997861 166.6
[M+CH3COO]- 294.013511 160.0
[M+Na-2H]- 255.974326 150.7
[M]+ 234.99911142 162.9
[M]- 235.00020858 162.9
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.