CID 59059741

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene

Structural Information

Molecular Formula
C24H25F7O
SMILES
CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F
InChI
InChI=1S/C24H25F7O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-18(25)22(19(26)11-16)24(30,31)32-17-12-20(27)23(29)21(28)13-17/h10-15H,2-9H2,1H3
InChIKey
CRFWEUOJFMPKOH-UHFFFAOYSA-N
Compound name
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

462.17935 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18663 211.4
[M+Na]+ 485.16857 219.1
[M-H]- 461.17207 211.3
[M+NH4]+ 480.21317 220.0
[M+K]+ 501.14251 210.8
[M+H-H2O]+ 445.17661 195.8
[M+HCOO]- 507.17755 219.9
[M+CH3COO]- 521.19320 238.1
[M+Na-2H]- 483.15402 204.4
[M]+ 462.17880 202.3
[M]- 462.17990 202.3
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