CID 146049292

(e)-2,2,2-trifluoro-n-[1-(trifluoroacetyl)azetidin-3-yl]ethanecarbonimidoyl chloride

Structural Information

Molecular Formula
C7H5ClF6N2O
SMILES
C1C(CN1C(=O)C(F)(F)F)N=C(C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF6N2O/c8-4(6(9,10)11)15-3-1-16(2-3)5(17)7(12,13)14/h3H,1-2H2
InChIKey
RZXSBUVERXTEMZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]ethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.99945 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00673 152.0
[M+Na]+ 304.98867 159.7
[M-H]- 280.99217 148.0
[M+NH4]+ 300.03327 161.4
[M+K]+ 320.96261 159.2
[M+H-H2O]+ 264.99671 137.0
[M+HCOO]- 326.99765 159.9
[M+CH3COO]- 341.01330 202.6
[M+Na-2H]- 302.97412 153.3
[M]+ 281.99890 153.1
[M]- 282.00000 153.1
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.