CID 587773

139136-72-4

Structural Information

Molecular Formula
C19H28F2
SMILES
CCCCCCCC1CCC(CC1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C19H28F2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(20)19(21)14-17/h12-16H,2-11H2,1H3
InChIKey
XZJQPRYOMYTPOL-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-(4-heptylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

294.2159 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22318 172.8
[M+Na]+ 317.20512 177.1
[M-H]- 293.20862 175.3
[M+NH4]+ 312.24972 188.3
[M+K]+ 333.17906 171.7
[M+H-H2O]+ 277.21316 163.1
[M+HCOO]- 339.21410 189.0
[M+CH3COO]- 353.22975 206.9
[M+Na-2H]- 315.19057 171.6
[M]+ 294.21535 168.2
[M]- 294.21645 168.2
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