CID 2378274

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

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 166.0
[M+Na]+ 336.05732 176.2
[M-H]- 312.06082 169.4
[M+NH4]+ 331.10192 182.3
[M+K]+ 352.03126 170.9
[M+H-H2O]+ 296.06536 157.5
[M+HCOO]- 358.06630 181.4
[M+CH3COO]- 372.08195 206.1
[M+Na-2H]- 334.04277 164.2
[M]+ 313.06755 169.2
[M]- 313.06865 169.2
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.