CID 22184031

253199-08-5

Structural Information

Molecular Formula
C22H32F2O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C22H32F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h13-18H,3-12H2,1-2H3
InChIKey
ZMZVSCAMMZODSU-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

350.24213 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24941 188.5
[M+Na]+ 373.23135 191.4
[M-H]- 349.23485 193.6
[M+NH4]+ 368.27595 201.3
[M+K]+ 389.20529 185.8
[M+H-H2O]+ 333.23939 177.4
[M+HCOO]- 395.24033 200.7
[M+CH3COO]- 409.25598 217.1
[M+Na-2H]- 371.21680 183.5
[M]+ 350.24158 180.0
[M]- 350.24268 180.0
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