CID 389034

Nsc684580

Structural Information

Molecular Formula
C18H31FO2
SMILES
CCCCCCCCC#CCCCCCCC(C(=O)O)F
InChI
InChI=1S/C18H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-8,11-16H2,1H3,(H,20,21)
InChIKey
VAELZRLESYJUQL-UHFFFAOYSA-N
Compound name
2-fluorooctadec-9-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2308 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23808 171.1
[M+Na]+ 321.22002 175.9
[M-H]- 297.22352 166.7
[M+NH4]+ 316.26462 184.2
[M+K]+ 337.19396 171.6
[M+H-H2O]+ 281.22806 158.4
[M+HCOO]- 343.22900 182.6
[M+CH3COO]- 357.24465 210.5
[M+Na-2H]- 319.20547 168.8
[M]+ 298.23025 168.5
[M]- 298.23135 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.