CID 456923

Akos000285884

Structural Information

Molecular Formula
C17H13Cl2N
SMILES
CC1=CC=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H13Cl2N/c1-12-7-9-16(13-5-3-2-4-6-13)20(12)17-10-8-14(18)11-15(17)19/h2-11H,1H3
InChIKey
NAEICLIBQATRKR-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2-methyl-5-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0425 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04978 168.2
[M+Na]+ 324.03172 179.6
[M-H]- 300.03522 176.2
[M+NH4]+ 319.07632 185.2
[M+K]+ 340.00566 171.4
[M+H-H2O]+ 284.03976 160.3
[M+HCOO]- 346.04070 182.3
[M+CH3COO]- 360.05635 180.5
[M+Na-2H]- 322.01717 169.7
[M]+ 301.04195 171.9
[M]- 301.04305 171.9
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.