CID 1272518

4,4,4-trifluorobutanamide

Structural Information

Molecular Formula
C4H6F3NO
SMILES
C(CC(F)(F)F)C(=O)N
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9)
InChIKey
RRIHBAAFBONJDL-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

325
Patents

141.04015 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04743 123.2
[M+Na]+ 164.02937 131.0
[M-H]- 140.03287 119.4
[M+NH4]+ 159.07397 144.1
[M+K]+ 180.00331 130.3
[M+H-H2O]+ 124.03741 116.5
[M+HCOO]- 186.03835 142.7
[M+CH3COO]- 200.05400 175.0
[M+Na-2H]- 162.01482 128.1
[M]+ 141.03960 117.6
[M]- 141.04070 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe