CID 1536921

329266-67-3

Structural Information

Molecular Formula
C15H12Cl2F3NO
SMILES
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)C(=O)CCl
InChI
InChI=1S/C15H12Cl2F3NO/c1-8-5-11(14(22)7-16)9(2)21(8)10-3-4-13(17)12(6-10)15(18,19)20/h3-6H,7H2,1-2H3
InChIKey
MZUMFPMUKCTKSC-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.0248 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03208 175.4
[M+Na]+ 372.01402 186.5
[M+NH4]+ 367.05862 180.7
[M+K]+ 387.98796 181.5
[M-H]- 348.01752 173.3
[M+Na-2H]- 369.99947 179.2
[M]+ 349.02425 176.7
[M]- 349.02535 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.