CID 15123458

Potassium 1-cyano-3,3,3-trifluoroprop-1-en-2-olate

Structural Information

Molecular Formula
C4H2F3NO
SMILES
C(=C(/C(F)(F)F)\O)\C#N
InChI
InChI=1S/C4H2F3NO/c5-4(6,7)3(9)1-2-8/h1,9H/b3-1-
InChIKey
DGMHAJAZQPEFHR-IWQZZHSRSA-N
Compound name
(Z)-4,4,4-trifluoro-3-hydroxybut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

137.00885 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.01613 119.6
[M+Na]+ 159.99807 129.3
[M-H]- 136.00157 116.0
[M+NH4]+ 155.04267 138.5
[M+K]+ 175.97201 128.4
[M+H-H2O]+ 120.00611 107.2
[M+HCOO]- 182.00705 134.6
[M+CH3COO]- 196.02270 182.3
[M+Na-2H]- 157.98352 124.9
[M]+ 137.00830 109.5
[M]- 137.00940 109.5
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