CID 256223

1-methylethyl perfluorobutanimidoate

Structural Information

Molecular Formula
C7H8F7NO
SMILES
CC(C)OC(=N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F7NO/c1-3(2)16-4(15)5(8,9)6(10,11)7(12,13)14/h3,15H,1-2H3
InChIKey
MCKRJDYXIPRUNQ-UHFFFAOYSA-N
Compound name
propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanimidate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

255.04941 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05669 145.5
[M+Na]+ 278.03863 153.0
[M-H]- 254.04213 137.2
[M+NH4]+ 273.08323 161.8
[M+K]+ 294.01257 151.6
[M+H-H2O]+ 238.04667 135.8
[M+HCOO]- 300.04761 156.3
[M+CH3COO]- 314.06326 197.6
[M+Na-2H]- 276.02408 148.1
[M]+ 255.04886 134.6
[M]- 255.04996 134.6
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.