CID 274400

335-08-0

Structural Information

Molecular Formula
C4H4F3NO
SMILES
CC(C#N)(C(F)(F)F)O
InChI
InChI=1S/C4H4F3NO/c1-3(9,2-8)4(5,6)7/h9H,1H3
InChIKey
XDCMNDCKYSQKAX-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

139.0245 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03178 132.4
[M+Na]+ 162.01372 139.9
[M+NH4]+ 157.05832 134.4
[M+K]+ 177.98766 133.2
[M-H]- 138.01722 119.7
[M+Na-2H]- 159.99917 132.0
[M]+ 139.02395 128.9
[M]- 139.02505 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe