CID 3066121

4-(3-pyridylmethoxymethyl)-2'-fluorobiphenyl hydrochloride

Structural Information

Molecular Formula
C19H16FNO
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)COCC3=CN=CC=C3)F
InChI
InChI=1S/C19H16FNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2
InChIKey
XOQSPNZYHNXLNI-UHFFFAOYSA-N
Compound name
3-[[4-(2-fluorophenyl)phenyl]methoxymethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.12158 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12886 168.1
[M+Na]+ 316.11080 175.6
[M-H]- 292.11430 174.8
[M+NH4]+ 311.15540 181.4
[M+K]+ 332.08474 169.6
[M+H-H2O]+ 276.11884 157.0
[M+HCOO]- 338.11978 189.7
[M+CH3COO]- 352.13543 179.1
[M+Na-2H]- 314.09625 173.7
[M]+ 293.12103 167.6
[M]- 293.12213 167.6
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

patents stripe