CID 71665248

(e)-2,2,2-trifluoro-n-(oxan-4-yl)ethanecarbonimidoylchloride

Structural Information

Molecular Formula
C7H9ClF3NO
SMILES
C1COCCC1N=C(C(F)(F)F)Cl
InChI
InChI=1S/C7H9ClF3NO/c8-6(7(9,10)11)12-5-1-3-13-4-2-5/h5H,1-4H2
InChIKey
DMVKHWWJMLIEPG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(oxan-4-yl)ethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03975 145.1
[M+Na]+ 238.02169 152.5
[M+NH4]+ 233.06629 151.1
[M+K]+ 253.99563 147.9
[M-H]- 214.02519 143.5
[M+Na-2H]- 236.00714 147.8
[M]+ 215.03192 145.5
[M]- 215.03302 145.5
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.