CID 19103623

3ch3dfp

Structural Information

Molecular Formula
C18H26F2
SMILES
CCCC1CCC(CC1)C2=C(C(=C(C=C2)CCC)F)F
InChI
InChI=1S/C18H26F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h11-14H,3-10H2,1-2H3
InChIKey
SVHLINBNIVOWJT-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

280.20026 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20754 167.8
[M+Na]+ 303.18948 173.5
[M-H]- 279.19298 170.9
[M+NH4]+ 298.23408 184.2
[M+K]+ 319.16342 168.3
[M+H-H2O]+ 263.19752 158.6
[M+HCOO]- 325.19846 184.3
[M+CH3COO]- 339.21411 205.1
[M+Na-2H]- 301.17493 166.5
[M]+ 280.19971 163.2
[M]- 280.20081 163.2
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