CID 66733775

1-fluorospiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C9H13FO2
SMILES
C1CCC2(CC1)CC2(C(=O)O)F
InChI
InChI=1S/C9H13FO2/c10-9(7(11)12)6-8(9)4-2-1-3-5-8/h1-6H2,(H,11,12)
InChIKey
CUNCFEJKAINTRT-UHFFFAOYSA-N
Compound name
2-fluorospiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.08995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.097226 136.9
[M+Na]+ 195.079168 144.9
[M-H]- 171.082674 140.8
[M+NH4]+ 190.123773 155.5
[M+K]+ 211.053108 143.9
[M+H-H2O]+ 155.087210 132.2
[M+HCOO]- 217.088151 153.8
[M+CH3COO]- 231.103801 178.3
[M+Na-2H]- 193.064616 142.9
[M]+ 172.08940142 134.1
[M]- 172.09049858 134.1
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