CID 60134749

Vchmeo-3odfp

Structural Information

Molecular Formula
C18H24F2O2
SMILES
CCCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C=C)F)F
InChI
InChI=1S/C18H24F2O2/c1-3-11-21-15-9-10-16(18(20)17(15)19)22-12-14-7-5-13(4-2)6-8-14/h4,9-10,13-14H,2-3,5-8,11-12H2,1H3
InChIKey
AERODTAUXGPVJO-UHFFFAOYSA-N
Compound name
1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

310.17444 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18172 173.3
[M+Na]+ 333.16366 179.1
[M-H]- 309.16716 176.4
[M+NH4]+ 328.20826 188.2
[M+K]+ 349.13760 174.5
[M+H-H2O]+ 293.17170 163.7
[M+HCOO]- 355.17264 190.3
[M+CH3COO]- 369.18829 208.3
[M+Na-2H]- 331.14911 172.0
[M]+ 310.17389 170.9
[M]- 310.17499 170.9
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