CID 170380951

Cpmeo4odfp

Structural Information

Molecular Formula
C16H22F2O2
SMILES
CCCCOC1=C(C(=C(C=C1)OCC2CCCC2)F)F
InChI
InChI=1S/C16H22F2O2/c1-2-3-10-19-13-8-9-14(16(18)15(13)17)20-11-12-6-4-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKey
PJCGSFYQUWLGSH-UHFFFAOYSA-N
Compound name
1-butoxy-4-(cyclopentylmethoxy)-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.15878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16606 165.6
[M+Na]+ 307.14800 172.0
[M-H]- 283.15150 169.1
[M+NH4]+ 302.19260 183.4
[M+K]+ 323.12194 168.3
[M+H-H2O]+ 267.15604 156.8
[M+HCOO]- 329.15698 185.5
[M+CH3COO]- 343.17263 201.5
[M+Na-2H]- 305.13345 164.8
[M]+ 284.15823 165.1
[M]- 284.15933 165.1
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