CID 2378274

725710-57-6

Structural Information

Molecular Formula
C15H14ClF2NO2
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)CCl
InChI
InChI=1S/C15H14ClF2NO2/c1-9-7-13(14(20)8-16)10(2)19(9)11-3-5-12(6-4-11)21-15(17)18/h3-7,15H,8H2,1-2H3
InChIKey
ICGCMBPKQRXGBJ-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0681 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07538 169.5
[M+Na]+ 336.05732 181.0
[M+NH4]+ 331.10192 175.4
[M+K]+ 352.03126 176.4
[M-H]- 312.06082 168.9
[M+Na-2H]- 334.04277 174.0
[M]+ 313.06755 171.0
[M]- 313.06865 171.0
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.