CID 138684402

2-(trifluoromethyl)piperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C7H9ClF3NO
SMILES
C1CCN(C(C1)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C7H9ClF3NO/c8-6(13)12-4-2-1-3-5(12)7(9,10)11/h5H,1-4H2
InChIKey
RJDLEICQAGMIAW-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)piperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.03247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03975 139.4
[M+Na]+ 238.02169 147.0
[M-H]- 214.02519 137.2
[M+NH4]+ 233.06629 157.5
[M+K]+ 253.99563 143.7
[M+H-H2O]+ 198.02973 131.9
[M+HCOO]- 260.03067 149.1
[M+CH3COO]- 274.04632 183.2
[M+Na-2H]- 236.00714 142.4
[M]+ 215.03192 133.0
[M]- 215.03302 133.0
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