CID 60015136

2odf4b

Structural Information

Molecular Formula
C18H20F2O
SMILES
CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C18H20F2O/c1-3-5-6-13-7-9-14(10-8-13)15-11-12-16(21-4-2)18(20)17(15)19/h7-12H,3-6H2,1-2H3
InChIKey
MHQSBGJLUFHYSY-UHFFFAOYSA-N
Compound name
1-(4-butylphenyl)-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

290.14822 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15550 166.7
[M+Na]+ 313.13744 175.4
[M-H]- 289.14094 171.0
[M+NH4]+ 308.18204 182.9
[M+K]+ 329.11138 170.3
[M+H-H2O]+ 273.14548 157.2
[M+HCOO]- 335.14642 187.8
[M+CH3COO]- 349.16207 206.0
[M+Na-2H]- 311.12289 168.4
[M]+ 290.14767 167.9
[M]- 290.14877 167.9
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