CID 64788153

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

Structural Information

Molecular Formula
C4H5F3INO
SMILES
C(C(=O)NCC(F)(F)F)I
InChI
InChI=1S/C4H5F3INO/c5-4(6,7)2-9-3(10)1-8/h1-2H2,(H,9,10)
InChIKey
LNBNYDPZMGZMIE-UHFFFAOYSA-N
Compound name
2-iodo-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

266.9368 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.944076 138.6
[M+Na]+ 289.926018 139.3
[M-H]- 265.929524 128.9
[M+NH4]+ 284.970623 154.2
[M+K]+ 305.899958 144.3
[M+H-H2O]+ 249.934060 128.2
[M+HCOO]- 311.935001 153.6
[M+CH3COO]- 325.950651 186.6
[M+Na-2H]- 287.911466 131.7
[M]+ 266.93625142 131.9
[M]- 266.93734858 131.9
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