CID 21122143

4,4-difluorobutanoic acid

Structural Information

Molecular Formula
C4H6F2O2
SMILES
C(CC(=O)O)C(F)F
InChI
InChI=1S/C4H6F2O2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H,7,8)
InChIKey
KATHHSJRHUEROK-UHFFFAOYSA-N
Compound name
4,4-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

339
Patents

124.033585 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.04086 120.1
[M+Na]+ 147.02280 127.5
[M-H]- 123.02631 116.6
[M+NH4]+ 142.06741 141.4
[M+K]+ 162.99674 127.3
[M+H-H2O]+ 107.03084 114.3
[M+HCOO]- 169.03179 139.6
[M+CH3COO]- 183.04744 168.7
[M+Na-2H]- 145.00825 124.0
[M]+ 124.03304 117.1
[M]- 124.03413 117.1
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