CID 19103501

Benzene, 1-ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)-

Structural Information

Molecular Formula
C17H24F2O
SMILES
CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C17H24F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h10-13H,3-9H2,1-2H3
InChIKey
BOAHGIPRRKDVQY-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

425
Patents

282.17953 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18681 166.7
[M+Na]+ 305.16875 172.8
[M-H]- 281.17225 170.1
[M+NH4]+ 300.21335 183.0
[M+K]+ 321.14269 168.5
[M+H-H2O]+ 265.17679 157.6
[M+HCOO]- 327.17773 183.8
[M+CH3COO]- 341.19338 204.1
[M+Na-2H]- 303.15420 166.0
[M]+ 282.17898 163.3
[M]- 282.18008 163.3
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