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]+ 173.09723 136.9
[M+Na]+ 195.07917 144.9
[M-H]- 171.08267 140.8
[M+NH4]+ 190.12377 155.5
[M+K]+ 211.05311 143.9
[M+H-H2O]+ 155.08721 132.2
[M+HCOO]- 217.08815 153.8
[M+CH3COO]- 231.10380 178.3
[M+Na-2H]- 193.06462 142.9
[M]+ 172.08940 134.1
[M]- 172.09050 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