CID 153282405

Cprmeo4odfp

Structural Information

Molecular Formula
C14H18F2O2
SMILES
CCCCOC1=C(C(=C(C=C1)OCC2CC2)F)F
InChI
InChI=1S/C14H18F2O2/c1-2-3-8-17-11-6-7-12(14(16)13(11)15)18-9-10-4-5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKey
LNKWUHAYQHBYOC-UHFFFAOYSA-N
Compound name
1-butoxy-4-(cyclopropylmethoxy)-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.12747 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13475 151.9
[M+Na]+ 279.11669 161.6
[M-H]- 255.12019 156.9
[M+NH4]+ 274.16129 164.7
[M+K]+ 295.09063 157.7
[M+H-H2O]+ 239.12473 143.0
[M+HCOO]- 301.12567 173.6
[M+CH3COO]- 315.14132 200.3
[M+Na-2H]- 277.10214 155.0
[M]+ 256.12692 156.4
[M]- 256.12802 156.4
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