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 144.0
[M+Na]+ 257.98888 157.0
[M-H]- 233.99238 152.7
[M+NH4]+ 253.03348 166.3
[M+K]+ 273.96282 145.7
[M+H-H2O]+ 217.99692 143.8
[M+HCOO]- 279.99786 166.6
[M+CH3COO]- 294.01351 160.0
[M+Na-2H]- 255.97433 150.7
[M]+ 234.99911 162.9
[M]- 235.00021 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.