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 171.4
[M+Na]+ 372.01402 183.7
[M-H]- 348.01752 173.3
[M+NH4]+ 367.05862 187.2
[M+K]+ 387.98796 176.0
[M+H-H2O]+ 332.02206 163.1
[M+HCOO]- 394.02300 179.8
[M+CH3COO]- 408.03865 211.1
[M+Na-2H]- 369.99947 169.7
[M]+ 349.02425 173.6
[M]- 349.02535 173.6
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.