CID 456918

1-(2,4-dichlorophenyl)-2-(4-chlorophenyl)-5-methylpyrrole

Structural Information

Molecular Formula
C17H12Cl3N
SMILES
CC1=CC=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12Cl3N/c1-11-2-8-16(12-3-5-13(18)6-4-12)21(11)17-9-7-14(19)10-15(17)20/h2-10H,1H3
InChIKey
YQVWXXCTEVDWIX-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.00354 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.01082 175.1
[M+Na]+ 357.99276 187.2
[M-H]- 333.99626 181.9
[M+NH4]+ 353.03736 191.0
[M+K]+ 373.96670 178.5
[M+H-H2O]+ 318.00080 167.6
[M+HCOO]- 380.00174 183.5
[M+CH3COO]- 394.01739 186.4
[M+Na-2H]- 355.97821 174.7
[M]+ 335.00299 179.3
[M]- 335.00409 179.3
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