CID 2369607

2-chloro-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula
C4H5ClF3NO
SMILES
C(C(=O)NCC(F)(F)F)Cl
InChI
InChI=1S/C4H5ClF3NO/c5-1-3(10)9-2-4(6,7)8/h1-2H2,(H,9,10)
InChIKey
IRIXZMVHMMALGW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

175.00117 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.008446 127.6
[M+Na]+ 197.990388 136.3
[M-H]- 173.993894 124.3
[M+NH4]+ 193.034993 148.4
[M+K]+ 213.964328 133.7
[M+H-H2O]+ 157.998430 121.8
[M+HCOO]- 219.999371 143.4
[M+CH3COO]- 234.015021 178.9
[M+Na-2H]- 195.975836 133.2
[M]+ 175.00062142 124.9
[M]- 175.00171858 124.9
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