CID 126634961

Dfpo-cf2-5bch

Structural Information

Molecular Formula
C24H34F4O
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C=C3)F)F)(F)F
InChI
InChI=1S/C24H34F4O/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24(27,28)29-21-14-15-22(25)23(26)16-21/h14-20H,2-13H2,1H3
InChIKey
WAPLKZQGIFCGQJ-UHFFFAOYSA-N
Compound name
4-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.25458 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.26186 204.4
[M+Na]+ 437.24380 206.0
[M-H]- 413.24730 206.0
[M+NH4]+ 432.28840 214.1
[M+K]+ 453.21774 199.5
[M+H-H2O]+ 397.25184 191.2
[M+HCOO]- 459.25278 212.0
[M+CH3COO]- 473.26843 227.6
[M+Na-2H]- 435.22925 198.5
[M]+ 414.25403 193.4
[M]- 414.25513 193.4
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