CID 57598731

Peche4odfp

Structural Information

Molecular Formula
C19H24F2O
SMILES
CCCCOC1=C(C(=C(C=C1)C2=CCC(CC2)/C=C/C)F)F
InChI
InChI=1S/C19H24F2O/c1-3-5-13-22-17-12-11-16(18(20)19(17)21)15-9-7-14(6-4-2)8-10-15/h4,6,9,11-12,14H,3,5,7-8,10,13H2,1-2H3/b6-4+
InChIKey
WGLTXKOFDYSBKB-GQCTYLIASA-N
Compound name
1-butoxy-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexen-1-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.17953 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18681 173.1
[M+Na]+ 329.16875 179.7
[M-H]- 305.17225 176.5
[M+NH4]+ 324.21335 188.5
[M+K]+ 345.14269 174.1
[M+H-H2O]+ 289.17679 163.6
[M+HCOO]- 351.17773 191.1
[M+CH3COO]- 365.19338 208.2
[M+Na-2H]- 327.15420 172.3
[M]+ 306.17898 171.0
[M]- 306.18008 171.0
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