CID 9671

(3-(p-fluorophenyl)-3-hydroxy-5-hexenyl)trimethylammonium iodide

Structural Information

Molecular Formula
C15H23FNO
SMILES
C[N+](C)(C)CCC(CC=C)(C1=CC=C(C=C1)F)O
InChI
InChI=1S/C15H23FNO/c1-5-10-15(18,11-12-17(2,3)4)13-6-8-14(16)9-7-13/h5-9,18H,1,10-12H2,2-4H3/q+1
InChIKey
FKTQMZVVVDGNFM-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.18364 157.5
[M+Na]+ 275.16558 163.5
[M-H]- 251.16908 159.8
[M+NH4]+ 270.21018 174.7
[M+K]+ 291.13952 154.8
[M+H-H2O]+ 235.17362 153.8
[M+HCOO]- 297.17456 176.9
[M+CH3COO]- 311.19021 193.2
[M+Na-2H]- 273.15103 165.7
[M]+ 252.17581 156.1
[M]- 252.17691 156.1
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.