CID 20236476

3,3-difluoro-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H6F2O2
SMILES
CC(C(F)F)C(=O)O
InChI
InChI=1S/C4H6F2O2/c1-2(3(5)6)4(7)8/h2-3H,1H3,(H,7,8)
InChIKey
YOXRUZDLBQQVTO-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

124.033585 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.04086 120.1
[M+Na]+ 147.02280 127.4
[M-H]- 123.02631 116.7
[M+NH4]+ 142.06741 141.4
[M+K]+ 162.99674 127.6
[M+H-H2O]+ 107.03084 114.4
[M+HCOO]- 169.03179 138.6
[M+CH3COO]- 183.04744 169.6
[M+Na-2H]- 145.00825 122.8
[M]+ 124.03304 116.5
[M]- 124.03413 116.5
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