CID 2103138

2-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1h-pyrrol-3-yl]ethan-1-one

Structural Information

Molecular Formula
C10H11ClF3NO
SMILES
CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CCl
InChI
InChI=1S/C10H11ClF3NO/c1-6-3-8(9(16)4-11)7(2)15(6)5-10(12,13)14/h3H,4-5H2,1-2H3
InChIKey
NWRKQCMVUKGCER-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04813 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05541 148.8
[M+Na]+ 276.03735 159.9
[M-H]- 252.04085 147.9
[M+NH4]+ 271.08195 168.0
[M+K]+ 292.01129 155.3
[M+H-H2O]+ 236.04539 141.5
[M+HCOO]- 298.04633 162.6
[M+CH3COO]- 312.06198 194.2
[M+Na-2H]- 274.02280 149.6
[M]+ 253.04758 149.3
[M]- 253.04868 149.3
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.