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]+ 236.00694 146.6
[M+Na]+ 257.98888 151.7
[M+NH4]+ 253.03348 152.5
[M+K]+ 273.96282 151.5
[M-H]- 233.99238 149.1
[M+Na-2H]- 255.97433 152.2
[M]+ 234.99911 147.0
[M]- 235.00021 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.