CID 8899732

2,2,2-trichloro-1-[4-(2-chloroacetyl)-1-methyl-1h-pyrrol-2-yl]ethan-1-one

Structural Information

Molecular Formula
C9H7Cl4NO2
SMILES
CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)C(=O)CCl
InChI
InChI=1S/C9H7Cl4NO2/c1-14-4-5(7(15)3-10)2-6(14)8(16)9(11,12)13/h2,4H,3H2,1H3
InChIKey
XVSQHCMJCFAFSI-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-[4-(2-chloroacetyl)-1-methylpyrrol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.9231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.93038 160.4
[M+Na]+ 323.91232 170.0
[M-H]- 299.91582 160.1
[M+NH4]+ 318.95692 176.8
[M+K]+ 339.88626 164.5
[M+H-H2O]+ 283.92036 156.8
[M+HCOO]- 345.92130 160.7
[M+CH3COO]- 359.93695 199.5
[M+Na-2H]- 321.89777 159.5
[M]+ 300.92255 163.2
[M]- 300.92365 163.2
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.