CID 3068480

Naphthalene, 2-(1,1-dimethyl-2-((4-fluoro-3-phenoxyphenyl)methoxy)ethyl)-

Structural Information

Molecular Formula
C27H25FO2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C27H25FO2/c1-27(2,23-14-13-21-8-6-7-9-22(21)17-23)19-29-18-20-12-15-25(28)26(16-20)30-24-10-4-3-5-11-24/h3-17H,18-19H2,1-2H3
InChIKey
UGEDAEXVXXQOJC-UHFFFAOYSA-N
Compound name
2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

400.18387 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19115 201.1
[M+Na]+ 423.17309 207.4
[M-H]- 399.17659 209.5
[M+NH4]+ 418.21769 212.2
[M+K]+ 439.14703 200.7
[M+H-H2O]+ 383.18113 189.3
[M+HCOO]- 445.18207 219.2
[M+CH3COO]- 459.19772 224.8
[M+Na-2H]- 421.15854 205.0
[M]+ 400.18332 202.4
[M]- 400.18442 202.4
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