CID 389035

Nsc684581

Structural Information

Molecular Formula
C14H23FO2
SMILES
CCC#CCCCCCCCCC(C(=O)O)F
InChI
InChI=1S/C14H23FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2,5-12H2,1H3,(H,16,17)
InChIKey
VOYDXDPCGKRZSZ-UHFFFAOYSA-N
Compound name
2-fluorotetradec-11-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16821 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17549 155.5
[M+Na]+ 265.15743 161.7
[M-H]- 241.16093 151.7
[M+NH4]+ 260.20203 170.6
[M+K]+ 281.13137 158.4
[M+H-H2O]+ 225.16547 143.4
[M+HCOO]- 287.16641 168.1
[M+CH3COO]- 301.18206 199.9
[M+Na-2H]- 263.14288 155.0
[M]+ 242.16766 151.5
[M]- 242.16876 151.5
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.