CID 165950815

6-fluorohex-2-ynoic acid

Structural Information

Molecular Formula
C6H7FO2
SMILES
C(CC#CC(=O)O)CF
InChI
InChI=1S/C6H7FO2/c7-5-3-1-2-4-6(8)9/h1,3,5H2,(H,8,9)
InChIKey
NFDFCJJTGUPXPK-UHFFFAOYSA-N
Compound name
6-fluorohex-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.04301 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05029 122.3
[M+Na]+ 153.03223 131.8
[M-H]- 129.03573 119.8
[M+NH4]+ 148.07683 141.5
[M+K]+ 169.00617 130.0
[M+H-H2O]+ 113.04027 111.5
[M+HCOO]- 175.04121 138.2
[M+CH3COO]- 189.05686 177.6
[M+Na-2H]- 151.01768 126.8
[M]+ 130.04246 116.2
[M]- 130.04356 116.2
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.