CID 3942004

1-(2,2,2-trichloro-1-hydroxy-ethyl)-pyrrolidin-2-one

Structural Information

Molecular Formula
C6H8Cl3NO2
SMILES
C1CC(=O)N(C1)C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C6H8Cl3NO2/c7-6(8,9)5(12)10-3-1-2-4(10)11/h5,12H,1-3H2
InChIKey
KUAALAAHYIVINN-UHFFFAOYSA-N
Compound name
1-(2,2,2-trichloro-1-hydroxyethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.96207 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96935 145.9
[M+Na]+ 253.95129 154.2
[M-H]- 229.95479 145.1
[M+NH4]+ 248.99589 164.6
[M+K]+ 269.92523 149.4
[M+H-H2O]+ 213.95933 142.5
[M+HCOO]- 275.96027 149.3
[M+CH3COO]- 289.97592 182.3
[M+Na-2H]- 251.93674 147.3
[M]+ 230.96152 144.9
[M]- 230.96262 144.9
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

patents stripe