CID 66509390

Sodium 1-cyano-3,3-difluoroprop-1-en-2-olate

Structural Information

Molecular Formula
C4H3F2NO
SMILES
C(=C(\C(F)F)/O)\C#N
InChI
InChI=1S/C4H3F2NO/c5-4(6)3(8)1-2-7/h1,4,8H/b3-1+
InChIKey
AMWVZAAZXXPFAK-HNQUOIGGSA-N
Compound name
(E)-4,4-difluoro-3-hydroxybut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

119.01827 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02555 116.9
[M+Na]+ 142.00749 126.0
[M-H]- 118.01099 114.4
[M+NH4]+ 137.05209 136.4
[M+K]+ 157.98143 125.3
[M+H-H2O]+ 102.01553 104.9
[M+HCOO]- 164.01647 133.3
[M+CH3COO]- 178.03212 180.9
[M+Na-2H]- 139.99294 121.1
[M]+ 119.01772 108.0
[M]- 119.01882 108.0
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

patents stripe