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 166.0
[M+Na]+ 334.02016 178.3
[M-H]- 310.02366 177.4
[M+NH4]+ 329.06476 185.1
[M+K]+ 349.99410 165.6
[M+H-H2O]+ 294.02820 164.7
[M+HCOO]- 356.02914 187.8
[M+CH3COO]- 370.04479 180.6
[M+Na-2H]- 332.00561 170.8
[M]+ 311.03039 184.7
[M]- 311.03149 184.7
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