CID 14855878

4,4-difluorobut-3-enoic acid

Structural Information

Molecular Formula
C4H4F2O2
SMILES
C(C=C(F)F)C(=O)O
InChI
InChI=1S/C4H4F2O2/c5-3(6)1-2-4(7)8/h1H,2H2,(H,7,8)
InChIKey
KYVNTUAQQAZYNP-UHFFFAOYSA-N
Compound name
4,4-difluorobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

122.01794 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02522 118.6
[M+Na]+ 145.00716 126.5
[M-H]- 121.01066 115.2
[M+NH4]+ 140.05176 140.1
[M+K]+ 160.98110 125.7
[M+H-H2O]+ 105.01520 113.0
[M+HCOO]- 167.01614 138.4
[M+CH3COO]- 181.03179 167.0
[M+Na-2H]- 142.99261 122.6
[M]+ 122.01739 114.9
[M]- 122.01849 114.9
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