CID 45081042

401948-16-1

Structural Information

Molecular Formula
C8H10F3NO2
SMILES
C1CN(CCC1C=O)C(=O)C(F)(F)F
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)7(14)12-3-1-6(5-13)2-4-12/h5-6H,1-4H2
InChIKey
SHLBENDDCRQOCL-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroacetyl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

209.06636 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07364 141.1
[M+Na]+ 232.05558 147.8
[M-H]- 208.05908 138.9
[M+NH4]+ 227.10018 158.4
[M+K]+ 248.02952 146.1
[M+H-H2O]+ 192.06362 132.7
[M+HCOO]- 254.06456 155.4
[M+CH3COO]- 268.08021 183.5
[M+Na-2H]- 230.04103 144.0
[M]+ 209.06581 133.9
[M]- 209.06691 133.9
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