CID 122163417

2-(2-fluoro-1-methylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
CC1(CC1F)CC(=O)O
InChI
InChI=1S/C6H9FO2/c1-6(2-4(6)7)3-5(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKey
RMDVXDZPYNTAPL-UHFFFAOYSA-N
Compound name
2-(2-fluoro-1-methylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.05865 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.065926 122.8
[M+Na]+ 155.047868 133.1
[M-H]- 131.051374 125.6
[M+NH4]+ 150.092473 141.3
[M+K]+ 171.021808 131.7
[M+H-H2O]+ 115.055910 118.2
[M+HCOO]- 177.056851 143.7
[M+CH3COO]- 191.072501 174.0
[M+Na-2H]- 153.033316 128.8
[M]+ 132.05810142 124.6
[M]- 132.05919858 124.6
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.