CID 3478467

2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1h-pyrrol-3-yl}propan-1-one

Structural Information

Molecular Formula
C16H16ClF2NO2
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)Cl
InChI
InChI=1S/C16H16ClF2NO2/c1-9-8-14(15(21)10(2)17)11(3)20(9)12-4-6-13(7-5-12)22-16(18)19/h4-8,10,16H,1-3H3
InChIKey
DJCARZPPCAKQEL-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.08377 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09105 173.6
[M+Na]+ 350.07299 184.6
[M+NH4]+ 345.11759 179.2
[M+K]+ 366.04693 180.5
[M-H]- 326.07649 172.8
[M+Na-2H]- 348.05844 177.5
[M]+ 327.08322 174.9
[M]- 327.08432 174.9
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.