CID 122374233

Pebchmeo-meodfp

Structural Information

Molecular Formula
C23H32F2O2
SMILES
C/C=C/C1CCC(CC1)C2CCC(CC2)COC3=C(C(=C(C=C3)OC)F)F
InChI
InChI=1S/C23H32F2O2/c1-3-4-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-2)22(24)23(21)25/h3-4,13-14,16-19H,5-12,15H2,1-2H3/b4-3+
InChIKey
GLIJPJJCAAOCMA-ONEGZZNKSA-N
Compound name
2,3-difluoro-1-methoxy-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

378.23703 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24431 195.2
[M+Na]+ 401.22625 197.9
[M-H]- 377.22975 200.1
[M+NH4]+ 396.27085 206.7
[M+K]+ 417.20019 192.2
[M+H-H2O]+ 361.23429 183.8
[M+HCOO]- 423.23523 207.4
[M+CH3COO]- 437.25088 220.7
[M+Na-2H]- 399.21170 189.7
[M]+ 378.23648 187.7
[M]- 378.23758 187.7
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