CID 145915566

(e)-2,2,2-trifluoro-n-[1-(trifluoroacetyl)piperidin-4-yl]ethanecarbonimidoyl chloride

Structural Information

Molecular Formula
C9H9ClF6N2O
SMILES
C1CN(CCC1N=C(C(F)(F)F)Cl)C(=O)C(F)(F)F
InChI
InChI=1S/C9H9ClF6N2O/c10-6(8(11,12)13)17-5-1-3-18(4-2-5)7(19)9(14,15)16/h5H,1-4H2
InChIKey
UFEWCFXOCMNLQS-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]ethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.03076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03804 158.2
[M+Na]+ 333.01998 165.3
[M-H]- 309.02348 153.4
[M+NH4]+ 328.06458 172.5
[M+K]+ 348.99392 161.3
[M+H-H2O]+ 293.02802 147.6
[M+HCOO]- 355.02896 164.3
[M+CH3COO]- 369.04461 204.2
[M+Na-2H]- 331.00543 158.9
[M]+ 310.03021 148.0
[M]- 310.03131 148.0
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

No patent data available for this compound.