CID 20621695

Vch2odfp

Structural Information

Molecular Formula
C16H20F2O
SMILES
CCOC1=C(C(=C(C=C1)C2CCC(CC2)C=C)F)F
InChI
InChI=1S/C16H20F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h3,9-12H,1,4-8H2,2H3
InChIKey
ITTMYASUKFSMDU-UHFFFAOYSA-N
Compound name
1-(4-ethenylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

266.14822 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15550 160.6
[M+Na]+ 289.13744 167.4
[M-H]- 265.14094 164.1
[M+NH4]+ 284.18204 177.5
[M+K]+ 305.11138 162.7
[M+H-H2O]+ 249.14548 151.7
[M+HCOO]- 311.14642 178.2
[M+CH3COO]- 325.16207 200.3
[M+Na-2H]- 287.12289 160.5
[M]+ 266.14767 156.1
[M]- 266.14877 156.1
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