CID 138571748

4chche2odfp

Structural Information

Molecular Formula
C24H34F2O
SMILES
CCCCC1CCC(CC1)C2CCC(=CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C24H34F2O/c1-3-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25/h13,15-19H,3-12,14H2,1-2H3
InChIKey
PPWNBIAOBBUMRM-UHFFFAOYSA-N
Compound name
1-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

376.25778 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26506 196.0
[M+Na]+ 399.24700 199.0
[M-H]- 375.25050 201.0
[M+NH4]+ 394.29160 207.8
[M+K]+ 415.22094 192.8
[M+H-H2O]+ 359.25504 184.5
[M+HCOO]- 421.25598 208.9
[M+CH3COO]- 435.27163 222.6
[M+Na-2H]- 397.23245 190.9
[M]+ 376.25723 189.7
[M]- 376.25833 189.7
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