CID 19771340

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

152.06488 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe