CID 19867387

3,3-difluoro-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C5H8F2O2
SMILES
CC(C)(C(F)F)C(=O)O
InChI
InChI=1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9)
InChIKey
CJUCPGKPFFVMPL-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

138.04924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 123.7
[M+Na]+ 161.03846 131.3
[M-H]- 137.04196 120.4
[M+NH4]+ 156.08306 144.7
[M+K]+ 177.01240 131.2
[M+H-H2O]+ 121.04650 118.5
[M+HCOO]- 183.04744 141.4
[M+CH3COO]- 197.06309 172.0
[M+Na-2H]- 159.02391 127.9
[M]+ 138.04869 120.6
[M]- 138.04979 120.6
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