CID 19103603

5ch5dfp

Structural Information

Molecular Formula
C22H34F2
SMILES
CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)CCCCC)F)F
InChI
InChI=1S/C22H34F2/c1-3-5-7-9-17-11-13-18(14-12-17)20-16-15-19(10-8-6-4-2)21(23)22(20)24/h15-18H,3-14H2,1-2H3
InChIKey
UQZAQROPMZCQCZ-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-pentyl-4-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

336.26285 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.27013 186.2
[M+Na]+ 359.25207 190.1
[M-H]- 335.25557 188.4
[M+NH4]+ 354.29667 200.3
[M+K]+ 375.22601 184.0
[M+H-H2O]+ 319.26011 176.1
[M+HCOO]- 381.26105 201.2
[M+CH3COO]- 395.27670 217.0
[M+Na-2H]- 357.23752 182.6
[M]+ 336.26230 183.0
[M]- 336.26340 183.0
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