CID 71361203

Vch2odfb

Structural Information

Molecular Formula
C22H24F2O
SMILES
CCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)C=C)F)F
InChI
InChI=1S/C22H24F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h3,9-16H,1,4-8H2,2H3
InChIKey
VIZPGEFPPOILLG-UHFFFAOYSA-N
Compound name
1-[4-(4-ethenylcyclohexyl)phenyl]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

342.17953 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18681 182.8
[M+Na]+ 365.16875 189.1
[M-H]- 341.17225 189.1
[M+NH4]+ 360.21335 196.1
[M+K]+ 381.14269 182.4
[M+H-H2O]+ 325.17679 171.7
[M+HCOO]- 387.17773 199.5
[M+CH3COO]- 401.19338 215.2
[M+Na-2H]- 363.15420 180.8
[M]+ 342.17898 178.0
[M]- 342.18008 178.0
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