CID 87429096

2219376-60-8

Structural Information

Molecular Formula
C9H11FO2
SMILES
C1CCC#CC(CC1)(C(=O)O)F
InChI
InChI=1S/C9H11FO2/c10-9(8(11)12)6-4-2-1-3-5-7-9/h1-4,6H2,(H,11,12)
InChIKey
TYCOIOVUVGIUCR-UHFFFAOYSA-N
Compound name
1-fluorocyclooct-2-yne-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

170.07431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08159 149.9
[M+Na]+ 193.06353 153.9
[M-H]- 169.06703 150.3
[M+NH4]+ 188.10813 159.4
[M+K]+ 209.03747 154.4
[M+H-H2O]+ 153.07157 146.5
[M+HCOO]- 215.07251 157.5
[M+CH3COO]- 229.08816 218.8
[M+Na-2H]- 191.04898 149.6
[M]+ 170.07376 147.0
[M]- 170.07486 147.0
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