CID 2125348

757192-82-8

Structural Information

Molecular Formula
C15H13ClF3NO2
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)(F)F)C)C(=O)CCl
InChI
InChI=1S/C15H13ClF3NO2/c1-9-7-13(14(21)8-16)10(2)20(9)11-3-5-12(6-4-11)22-15(17,18)19/h3-7H,8H2,1-2H3
InChIKey
UQVBEDXCYXVVIU-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0587 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06598 169.2
[M+Na]+ 354.04792 180.3
[M-H]- 330.05142 171.6
[M+NH4]+ 349.09252 185.0
[M+K]+ 370.02186 174.5
[M+H-H2O]+ 314.05596 160.2
[M+HCOO]- 376.05690 183.0
[M+CH3COO]- 390.07255 207.7
[M+Na-2H]- 352.03337 169.0
[M]+ 331.05815 171.3
[M]- 331.05925 171.3
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

No patent data available for this compound.