CID 85991026

Dtxsid801231836

Structural Information

Molecular Formula
C14H16F2
SMILES
CCC1CCC(=CC1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C14H16F2/c1-2-10-3-5-11(6-4-10)12-7-13(15)9-14(16)8-12/h5,7-10H,2-4,6H2,1H3
InChIKey
PRRRATBGURPGSG-UHFFFAOYSA-N
Compound name
1-(4-ethylcyclohexen-1-yl)-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.12201 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12929 147.7
[M+Na]+ 245.11123 155.3
[M-H]- 221.11473 151.7
[M+NH4]+ 240.15583 166.4
[M+K]+ 261.08517 151.0
[M+H-H2O]+ 205.11927 139.2
[M+HCOO]- 267.12021 167.1
[M+CH3COO]- 281.13586 191.6
[M+Na-2H]- 243.09668 150.5
[M]+ 222.12146 142.9
[M]- 222.12256 142.9
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

No patent data available for this compound.