CID 137942236

2,3-difluoro-2,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C6H10F2O2
SMILES
CC(C)(C(C)(C(=O)O)F)F
InChI
InChI=1S/C6H10F2O2/c1-5(2,7)6(3,8)4(9)10/h1-3H3,(H,9,10)
InChIKey
JHZYGWWMPWUQND-UHFFFAOYSA-N
Compound name
2,3-difluoro-2,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.06488 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.072156 127.6
[M+Na]+ 175.054098 135.4
[M-H]- 151.057604 124.4
[M+NH4]+ 170.098703 148.2
[M+K]+ 191.028038 135.1
[M+H-H2O]+ 135.062140 122.8
[M+HCOO]- 197.063081 144.4
[M+CH3COO]- 211.078731 174.6
[M+Na-2H]- 173.039546 133.4
[M]+ 152.06433142 125.0
[M]- 152.06542858 125.0
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

No patent data available for this compound.