CID 14880147

2-(2,2,2-trifluoroethoxy)acetonitrile

Structural Information

Molecular Formula
C4H4F3NO
SMILES
C(C#N)OCC(F)(F)F
InChI
InChI=1S/C4H4F3NO/c5-4(6,7)3-9-2-1-8/h2-3H2
InChIKey
DZSRLWBIKNKIHO-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

139.0245 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03178 116.9
[M+Na]+ 162.01372 126.8
[M-H]- 138.01722 114.5
[M+NH4]+ 157.05832 136.5
[M+K]+ 177.98766 126.9
[M+H-H2O]+ 122.02176 104.2
[M+HCOO]- 184.02270 134.1
[M+CH3COO]- 198.03835 185.6
[M+Na-2H]- 159.99917 124.1
[M]+ 139.02395 109.9
[M]- 139.02505 109.9
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

patents stripe