CID 20621742

Vbch3odfp

Structural Information

Molecular Formula
C23H32F2O
SMILES
CCCOC1=C(C(=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=C)F)F
InChI
InChI=1S/C23H32F2O/c1-3-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(4-2)6-8-17/h4,13-14,16-19H,2-3,5-12,15H2,1H3
InChIKey
ISVGCPHJXJTBOD-UHFFFAOYSA-N
Compound name
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

362.24213 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24941 191.6
[M+Na]+ 385.23135 194.4
[M-H]- 361.23485 196.5
[M+NH4]+ 380.27595 203.8
[M+K]+ 401.20529 188.0
[M+H-H2O]+ 345.23939 180.4
[M+HCOO]- 407.24033 203.6
[M+CH3COO]- 421.25598 219.3
[M+Na-2H]- 383.21680 186.1
[M]+ 362.24158 182.8
[M]- 362.24268 182.8
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