CID 19793013

2bchmeo-meodfp

Structural Information

Molecular Formula
C22H32F2O2
SMILES
CCC1CCC(CC1)C2CCC(CC2)COC3=C(C(=C(C=C3)OC)F)F
InChI
InChI=1S/C22H32F2O2/c1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h12-13,15-18H,3-11,14H2,1-2H3
InChIKey
QXVWHHVNWXGCQG-UHFFFAOYSA-N
Compound name
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

366.23703 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24431 191.8
[M+Na]+ 389.22625 194.6
[M-H]- 365.22975 196.8
[M+NH4]+ 384.27085 203.9
[M+K]+ 405.20019 189.7
[M+H-H2O]+ 349.23429 180.5
[M+HCOO]- 411.23523 204.1
[M+CH3COO]- 425.25088 219.1
[M+Na-2H]- 387.21170 186.9
[M]+ 366.23648 184.8
[M]- 366.23758 184.8
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