CID 89976397

2169795-24-6

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C/C(=C\C(=O)O)/C(F)F
InChI
InChI=1S/C5H6F2O2/c1-3(5(6)7)2-4(8)9/h2,5H,1H3,(H,8,9)/b3-2+
InChIKey
YNBKDAZJXBTDFV-NSCUHMNNSA-N
Compound name
(E)-4,4-difluoro-3-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

136.03358 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.040856 123.4
[M+Na]+ 159.022798 130.6
[M-H]- 135.026304 119.9
[M+NH4]+ 154.067403 144.2
[M+K]+ 174.996738 130.0
[M+H-H2O]+ 119.030840 117.6
[M+HCOO]- 181.031781 141.8
[M+CH3COO]- 195.047431 171.0
[M+Na-2H]- 157.008246 125.6
[M]+ 136.03303142 119.3
[M]- 136.03412858 119.3
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