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]+ 173.097226 157.8
[M+Na]+ 195.079168 161.3
[M-H]- 171.082674 159.1
[M+NH4]+ 190.123773 163.5
[M+K]+ 211.053108 166.2
[M+H-H2O]+ 155.087210 144.9
[M+HCOO]- 217.088151 168.5
[M+CH3COO]- 231.103801 206.9
[M+Na-2H]- 193.064616 162.7
[M]+ 172.08940142 181.5
[M]- 172.09049858 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.