CID 456922

Akos000285849

Structural Information

Molecular Formula
C17H14ClN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H14ClN/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
BZPQLJRROGWWPZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methyl-5-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08148 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08876 160.8
[M+Na]+ 290.07070 171.1
[M-H]- 266.07420 169.6
[M+NH4]+ 285.11530 178.7
[M+K]+ 306.04464 164.0
[M+H-H2O]+ 250.07874 152.6
[M+HCOO]- 312.07968 180.3
[M+CH3COO]- 326.09533 173.9
[M+Na-2H]- 288.05615 164.1
[M]+ 267.08093 163.0
[M]- 267.08203 163.0
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.