CID 137943759

3-(3-fluoropropyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H13FO2
SMILES
C1C2(CC1(C2)C(=O)O)CCCF
InChI
InChI=1S/C9H13FO2/c10-3-1-2-8-4-9(5-8,6-8)7(11)12/h1-6H2,(H,11,12)
InChIKey
FLRMQDMIZISBCO-UHFFFAOYSA-N
Compound name
3-(3-fluoropropyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.08995 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09723 157.8
[M+Na]+ 195.07917 161.3
[M-H]- 171.08267 159.1
[M+NH4]+ 190.12377 163.5
[M+K]+ 211.05311 166.2
[M+H-H2O]+ 155.08721 144.9
[M+HCOO]- 217.08815 168.5
[M+CH3COO]- 231.10380 206.9
[M+Na-2H]- 193.06462 162.7
[M]+ 172.08940 181.5
[M]- 172.09050 181.5
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.