CID 68642346

157248-24-3

Structural Information

Molecular Formula
C17H18F2O
SMILES
CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C17H18F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h6-11H,3-5H2,1-2H3
InChIKey
RYPOSVPGRBGCKW-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

189
Patents

276.13257 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13985 162.0
[M+Na]+ 299.12179 171.1
[M-H]- 275.12529 166.4
[M+NH4]+ 294.16639 178.7
[M+K]+ 315.09573 166.2
[M+H-H2O]+ 259.12983 152.7
[M+HCOO]- 321.13077 183.4
[M+CH3COO]- 335.14642 203.0
[M+Na-2H]- 297.10724 164.3
[M]+ 276.13202 162.9
[M]- 276.13312 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe