CID 153282241

Cpmeo2odfp

Structural Information

Molecular Formula
C14H18F2O2
SMILES
CCOC1=C(C(=C(C=C1)OCC2CCCC2)F)F
InChI
InChI=1S/C14H18F2O2/c1-2-17-11-7-8-12(14(16)13(11)15)18-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKey
NGVGUMKNIYKATL-UHFFFAOYSA-N
Compound name
1-(cyclopentylmethoxy)-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.12747 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13475 156.2
[M+Na]+ 279.11669 163.5
[M-H]- 255.12019 160.1
[M+NH4]+ 274.16129 175.1
[M+K]+ 295.09063 160.3
[M+H-H2O]+ 239.12473 147.9
[M+HCOO]- 301.12567 176.8
[M+CH3COO]- 315.14132 195.5
[M+Na-2H]- 277.10214 156.5
[M]+ 256.12692 155.0
[M]- 256.12802 155.0
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

No patent data available for this compound.