CID 14765971

1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene

Structural Information

Molecular Formula
C16H22F2O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h8-13,16H,2-7H2,1H3
InChIKey
UFXZCYCLYFOMOP-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

268.16388 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17116 163.0
[M+Na]+ 291.15310 167.3
[M-H]- 267.15660 165.8
[M+NH4]+ 286.19770 179.2
[M+K]+ 307.12704 163.7
[M+H-H2O]+ 251.16114 153.7
[M+HCOO]- 313.16208 179.4
[M+CH3COO]- 327.17773 199.6
[M+Na-2H]- 289.13855 163.0
[M]+ 268.16333 157.8
[M]- 268.16443 157.8
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