CID 53418388

609779-51-3

Structural Information

Molecular Formula
C16H22F2O
SMILES
CCCC1CCC(CC1)C2=C(C(=C(C=C2)OC)F)F
InChI
InChI=1S/C16H22F2O/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3
InChIKey
IMPPBANBBAQKPL-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-methoxy-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

268.16388 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17116 162.1
[M+Na]+ 291.15310 168.6
[M-H]- 267.15660 165.6
[M+NH4]+ 286.19770 179.0
[M+K]+ 307.12704 164.5
[M+H-H2O]+ 251.16114 153.1
[M+HCOO]- 313.16208 179.5
[M+CH3COO]- 327.17773 201.1
[M+Na-2H]- 289.13855 161.9
[M]+ 268.16333 158.3
[M]- 268.16443 158.3
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