CID 122606585

3chchemeodfp

Structural Information

Molecular Formula
C22H30F2O
SMILES
CCCC1CCC(CC1)C2CCC(=CC2)C3=C(C(=C(C=C3)OC)F)F
InChI
InChI=1S/C22H30F2O/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-2)22(24)21(19)23/h11,13-17H,3-10,12H2,1-2H3
InChIKey
LEWKJJJTOUCIOK-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-methoxy-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

348.22647 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23375 186.9
[M+Na]+ 371.21569 190.9
[M-H]- 347.21919 192.4
[M+NH4]+ 366.26029 199.9
[M+K]+ 387.18963 185.2
[M+H-H2O]+ 331.22373 175.9
[M+HCOO]- 393.22467 200.6
[M+CH3COO]- 407.24032 216.7
[M+Na-2H]- 369.20114 182.9
[M]+ 348.22592 180.0
[M]- 348.22702 180.0
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