CID 118062640

2-(3,3-difluoro-1-methylcyclobutyl)acetic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC1(CC(C1)(F)F)CC(=O)O
InChI
InChI=1S/C7H10F2O2/c1-6(2-5(10)11)3-7(8,9)4-6/h2-4H2,1H3,(H,10,11)
InChIKey
VSKLQNOSDXIRDP-UHFFFAOYSA-N
Compound name
2-(3,3-difluoro-1-methylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

164.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 133.1
[M+Na]+ 187.05410 140.6
[M-H]- 163.05760 133.7
[M+NH4]+ 182.09870 150.6
[M+K]+ 203.02804 142.1
[M+H-H2O]+ 147.06214 124.7
[M+HCOO]- 209.06308 151.0
[M+CH3COO]- 223.07873 178.9
[M+Na-2H]- 185.03955 138.0
[M]+ 164.06433 138.9
[M]- 164.06543 138.9
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