CID 20386164

2,2-difluorobut-3-enoic acid

Structural Information

Molecular Formula
C4H4F2O2
SMILES
C=CC(C(=O)O)(F)F
InChI
InChI=1S/C4H4F2O2/c1-2-4(5,6)3(7)8/h2H,1H2,(H,7,8)
InChIKey
ZUOBHRXEMDNEGE-UHFFFAOYSA-N
Compound name
2,2-difluorobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

122.01794 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.025216 117.7
[M+Na]+ 145.007158 126.2
[M-H]- 121.010664 114.5
[M+NH4]+ 140.051763 139.3
[M+K]+ 160.981098 125.3
[M+H-H2O]+ 105.015200 112.7
[M+HCOO]- 167.016141 136.9
[M+CH3COO]- 181.031791 167.1
[M+Na-2H]- 142.992606 123.7
[M]+ 122.01739142 114.2
[M]- 122.01848858 114.2
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