CID 131111159

1858788-55-2

Structural Information

Molecular Formula
C9H14F2O2
SMILES
CC(C)(CC1CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C9H14F2O2/c1-8(2,7(12)13)3-6-4-9(10,11)5-6/h6H,3-5H2,1-2H3,(H,12,13)
InChIKey
DTDXKLSPWJYHNX-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09619 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10347 142.3
[M+Na]+ 215.08541 148.4
[M-H]- 191.08891 142.2
[M+NH4]+ 210.13001 156.8
[M+K]+ 231.05935 149.8
[M+H-H2O]+ 175.09345 132.7
[M+HCOO]- 237.09439 157.9
[M+CH3COO]- 251.11004 185.3
[M+Na-2H]- 213.07086 145.6
[M]+ 192.09564 147.8
[M]- 192.09674 147.8
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.