CID 20621691

Vbch2odfp

Structural Information

Molecular Formula
C22H30F2O
SMILES
CCOC1=C(C(=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=C)F)F
InChI
InChI=1S/C22H30F2O/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/h3,13-18H,1,4-12H2,2H3
InChIKey
WQCYZRSPOGEFLK-UHFFFAOYSA-N
Compound name
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

348.22647 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23375 187.1
[M+Na]+ 371.21569 190.3
[M-H]- 347.21919 192.2
[M+NH4]+ 366.26029 199.9
[M+K]+ 387.18963 184.2
[M+H-H2O]+ 331.22373 176.1
[M+HCOO]- 393.22467 199.5
[M+CH3COO]- 407.24032 216.3
[M+Na-2H]- 369.20114 182.1
[M]+ 348.22592 178.0
[M]- 348.22702 178.0
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