CID 66509390

1286711-48-5

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

7
Patents

119.01827 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.025546 116.9
[M+Na]+ 142.007488 126.0
[M-H]- 118.010994 114.4
[M+NH4]+ 137.052093 136.4
[M+K]+ 157.981428 125.3
[M+H-H2O]+ 102.015530 104.9
[M+HCOO]- 164.016471 133.3
[M+CH3COO]- 178.032121 180.9
[M+Na-2H]- 139.992936 121.1
[M]+ 119.01772142 108.0
[M]- 119.01881858 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