CID 162516347

3chchedfetodfp

Structural Information

Molecular Formula
C23H30F4O
SMILES
CCCC1CCC(CC1)C2CCC(=CC2)C3=C(C(=C(C=C3)OCC(F)F)F)F
InChI
InChI=1S/C23H30F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(23(27)22(19)26)28-14-21(24)25/h10,12-13,15-17,21H,2-9,11,14H2,1H3
InChIKey
SWPYYWNDBSKJKU-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.22327 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23055 198.7
[M+Na]+ 421.21249 202.1
[M-H]- 397.21599 201.1
[M+NH4]+ 416.25709 209.3
[M+K]+ 437.18643 195.6
[M+H-H2O]+ 381.22053 185.5
[M+HCOO]- 443.22147 208.7
[M+CH3COO]- 457.23712 225.8
[M+Na-2H]- 419.19794 191.6
[M]+ 398.22272 189.2
[M]- 398.22382 189.2
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