CID 20653800

Dfpo-cf2-5chdfp

Structural Information

Molecular Formula
C24H26F6O
SMILES
CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)F)F)(F)F)F
InChI
InChI=1S/C24H26F6O/c1-2-3-4-5-15-6-8-16(9-7-15)17-12-21(27)23(22(28)13-17)24(29,30)31-18-10-11-19(25)20(26)14-18/h10-16H,2-9H2,1H3
InChIKey
XYXMUTPAVCHTQQ-UHFFFAOYSA-N
Compound name
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.18878 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19606 207.7
[M+Na]+ 467.17800 214.5
[M-H]- 443.18150 208.6
[M+NH4]+ 462.22260 216.9
[M+K]+ 483.15194 206.5
[M+H-H2O]+ 427.18604 192.8
[M+HCOO]- 489.18698 217.4
[M+CH3COO]- 503.20263 234.2
[M+Na-2H]- 465.16345 202.0
[M]+ 444.18823 199.5
[M]- 444.18933 199.5
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