CID 19103482

5ch2dfb

Structural Information

Molecular Formula
C25H32F2
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CC)F)F
InChI
InChI=1S/C25H32F2/c1-3-5-6-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-17-16-19(4-2)24(26)25(23)27/h12-18,20H,3-11H2,1-2H3
InChIKey
WOXBGVQRQSZGPM-UHFFFAOYSA-N
Compound name
1-ethyl-2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

370.2472 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.25448 194.1
[M+Na]+ 393.23642 198.9
[M-H]- 369.23992 199.7
[M+NH4]+ 388.28102 206.4
[M+K]+ 409.21036 191.4
[M+H-H2O]+ 353.24446 182.5
[M+HCOO]- 415.24540 209.4
[M+CH3COO]- 429.26105 222.8
[M+Na-2H]- 391.22187 190.4
[M]+ 370.24665 189.6
[M]- 370.24775 189.6
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