CID 11462604

3chche2odfp

Structural Information

Molecular Formula
C23H32F2O
SMILES
CCCC1CCC(CC1)C2CCC(=CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h12,14-18H,3-11,13H2,1-2H3
InChIKey
KBZFOJCDYCIANP-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

362.24213 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24941 191.5
[M+Na]+ 385.23135 195.0
[M-H]- 361.23485 196.7
[M+NH4]+ 380.27595 203.9
[M+K]+ 401.20529 189.0
[M+H-H2O]+ 345.23939 180.2
[M+HCOO]- 407.24033 204.8
[M+CH3COO]- 421.25598 219.6
[M+Na-2H]- 383.21680 186.9
[M]+ 362.24158 184.8
[M]- 362.24268 184.8
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

patents stripe