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

42
Patents

122.01794 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02522 117.7
[M+Na]+ 145.00716 126.2
[M-H]- 121.01066 114.5
[M+NH4]+ 140.05176 139.3
[M+K]+ 160.98110 125.3
[M+H-H2O]+ 105.01520 112.7
[M+HCOO]- 167.01614 136.9
[M+CH3COO]- 181.03179 167.1
[M+Na-2H]- 142.99261 123.7
[M]+ 122.01739 114.2
[M]- 122.01849 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