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

69
Patents

152.06488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07216 127.6
[M+Na]+ 175.05410 135.4
[M-H]- 151.05760 124.4
[M+NH4]+ 170.09870 148.2
[M+K]+ 191.02804 135.1
[M+H-H2O]+ 135.06214 122.8
[M+HCOO]- 197.06308 144.4
[M+CH3COO]- 211.07873 174.6
[M+Na-2H]- 173.03955 133.4
[M]+ 152.06433 125.0
[M]- 152.06543 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