CID 21851825

3-benzyloxy-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C13H10F3NO
SMILES
C1=CC=C(C=C1)COC2=CN=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3NO/c14-13(15,16)11-6-12(8-17-7-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
OXCFWRVTTLSOGH-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

253.07144 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07872 152.5
[M+Na]+ 276.06066 161.2
[M-H]- 252.06416 154.0
[M+NH4]+ 271.10526 168.0
[M+K]+ 292.03460 156.8
[M+H-H2O]+ 236.06870 141.9
[M+HCOO]- 298.06964 171.2
[M+CH3COO]- 312.08529 192.7
[M+Na-2H]- 274.04611 159.2
[M]+ 253.07089 149.5
[M]- 253.07199 149.5
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

patents stripe