CID 21676810

3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7FO2
SMILES
C1C2(CC1(C2)F)C(=O)O
InChI
InChI=1S/C6H7FO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9)
InChIKey
CQOUAQUBJPKQON-UHFFFAOYSA-N
Compound name
3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

130.04301 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05029 145.5
[M+Na]+ 153.03223 150.1
[M-H]- 129.03573 147.3
[M+NH4]+ 148.07683 152.6
[M+K]+ 169.00617 155.5
[M+H-H2O]+ 113.04027 133.1
[M+HCOO]- 175.04121 157.1
[M+CH3COO]- 189.05686 200.3
[M+Na-2H]- 151.01768 151.8
[M]+ 130.04246 168.5
[M]- 130.04356 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe