CID 58058609

Schembl10091331

Structural Information

Molecular Formula
C16H16F2O
SMILES
CCC1=CC=C(C=C1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C16H16F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h5-10H,3-4H2,1-2H3
InChIKey
XSGLVLSDMXMJHX-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(4-ethylphenyl)-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

262.1169 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12418 157.2
[M+Na]+ 285.10612 166.8
[M-H]- 261.10962 161.9
[M+NH4]+ 280.15072 174.6
[M+K]+ 301.08006 162.2
[M+H-H2O]+ 245.11416 148.2
[M+HCOO]- 307.11510 179.0
[M+CH3COO]- 321.13075 200.1
[M+Na-2H]- 283.09157 160.1
[M]+ 262.11635 157.8
[M]- 262.11745 157.8
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.