CID 122758

1-(p-bromophenyl)-2-methyl-5-phenylpyrrole

Structural Information

Molecular Formula
C17H14BrN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C17H14BrN/c1-13-7-12-17(14-5-3-2-4-6-14)19(13)16-10-8-15(18)9-11-16/h2-12H,1H3
InChIKey
XQFBFCCGGAXUII-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-methyl-5-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

311.03094 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03822 166.5
[M+Na]+ 334.02016 173.4
[M+NH4]+ 329.06476 172.6
[M+K]+ 349.99410 171.6
[M-H]- 310.02366 171.3
[M+Na-2H]- 332.00561 173.9
[M]+ 311.03039 167.9
[M]- 311.03149 167.9
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