CID 29004798

2-(2,2,3,3-tetrafluoropropoxy)acetonitrile

Structural Information

Molecular Formula
C5H5F4NO
SMILES
C(C#N)OCC(C(F)F)(F)F
InChI
InChI=1S/C5H5F4NO/c6-4(7)5(8,9)3-11-2-1-10/h4H,2-3H2
InChIKey
MKJJYFFFKSGMIE-UHFFFAOYSA-N
Compound name
2-(2,2,3,3-tetrafluoropropoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.03073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.03801 122.5
[M+Na]+ 194.01995 131.6
[M-H]- 170.02345 118.5
[M+NH4]+ 189.06455 140.6
[M+K]+ 209.99389 131.5
[M+H-H2O]+ 154.02799 108.6
[M+HCOO]- 216.02893 137.4
[M+CH3COO]- 230.04458 192.2
[M+Na-2H]- 192.00540 127.5
[M]+ 171.03018 114.0
[M]- 171.03128 114.0
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.