CID 2125354

757192-85-1

Structural Information

Molecular Formula
C14H12Cl3NO
SMILES
CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)C(=O)CCl
InChI
InChI=1S/C14H12Cl3NO/c1-8-3-13(14(19)7-15)9(2)18(8)12-5-10(16)4-11(17)6-12/h3-6H,7H2,1-2H3
InChIKey
YSFLRNRMGBTNSJ-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.99844 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00572 167.1
[M+Na]+ 337.98766 179.0
[M-H]- 313.99116 171.4
[M+NH4]+ 333.03226 184.2
[M+K]+ 353.96160 171.7
[M+H-H2O]+ 297.99570 161.7
[M+HCOO]- 359.99664 174.8
[M+CH3COO]- 374.01229 205.4
[M+Na-2H]- 335.97311 165.5
[M]+ 314.99789 172.5
[M]- 314.99899 172.5
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.