CID 43114816

1-(2-chloropropanoyl)-3-(2,2,2-trifluoroethyl)urea

Structural Information

Molecular Formula
C6H8ClF3N2O2
SMILES
CC(C(=O)NC(=O)NCC(F)(F)F)Cl
InChI
InChI=1S/C6H8ClF3N2O2/c1-3(7)4(13)12-5(14)11-2-6(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKey
MWWZRXPYACBMPS-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02992 142.7
[M+Na]+ 255.01186 149.7
[M-H]- 231.01536 139.3
[M+NH4]+ 250.05646 160.8
[M+K]+ 270.98580 147.5
[M+H-H2O]+ 215.01990 136.3
[M+HCOO]- 277.02084 157.5
[M+CH3COO]- 291.03649 191.3
[M+Na-2H]- 252.99731 145.2
[M]+ 232.02209 139.4
[M]- 232.02319 139.4
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.