CID 587774

117923-21-4

Structural Information

Molecular Formula
C25H38F2
SMILES
CCCCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C25H38F2/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)23-16-17-24(26)25(27)18-23/h16-22H,2-15H2,1H3
InChIKey
LQQUELXLCCXQAX-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

376.29416 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30144 198.5
[M+Na]+ 399.28338 199.2
[M-H]- 375.28688 202.5
[M+NH4]+ 394.32798 209.9
[M+K]+ 415.25732 192.2
[M+H-H2O]+ 359.29142 186.7
[M+HCOO]- 421.29236 209.4
[M+CH3COO]- 435.30801 222.7
[M+Na-2H]- 397.26883 192.4
[M]+ 376.29361 189.1
[M]- 376.29471 189.1
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