CID 59203780

Vbchmeo-2odfp

Structural Information

Molecular Formula
C23H32F2O2
SMILES
CCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C3CCC(CC3)C=C)F)F
InChI
InChI=1S/C23H32F2O2/c1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25/h3,13-14,16-19H,1,4-12,15H2,2H3
InChIKey
IKUNIIGRTSFBLX-UHFFFAOYSA-N
Compound name
1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

378.23703 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24431 194.9
[M+Na]+ 401.22625 197.5
[M-H]- 377.22975 199.8
[M+NH4]+ 396.27085 206.4
[M+K]+ 417.20019 191.8
[M+H-H2O]+ 361.23429 183.5
[M+HCOO]- 423.23523 207.1
[M+CH3COO]- 437.25088 221.4
[M+Na-2H]- 399.21170 189.5
[M]+ 378.23648 187.6
[M]- 378.23758 187.6
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