CID 18659088

1,3-difluor-2-difluormethoxy-5-(4-trans-propyl-(1,1-bicyclohexyl)-4-trans-yl)-benzene

Structural Information

Molecular Formula
C22H30F4O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OC(F)F)F
InChI
InChI=1S/C22H30F4O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)27-22(25)26/h12-17,22H,2-11H2,1H3
InChIKey
GMCGTWFHMSDTJZ-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

386.22327 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23055 195.7
[M+Na]+ 409.21249 198.5
[M-H]- 385.21599 198.0
[M+NH4]+ 404.25709 206.8
[M+K]+ 425.18643 192.5
[M+H-H2O]+ 369.22053 182.8
[M+HCOO]- 431.22147 204.7
[M+CH3COO]- 445.23712 223.3
[M+Na-2H]- 407.19794 188.2
[M]+ 386.22272 184.4
[M]- 386.22382 184.4
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