CID 22184028

1-butoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene

Structural Information

Molecular Formula
C19H28F2O
SMILES
CCCCOC1=C(C(=C(C=C1)C2CCC(CC2)CCC)F)F
InChI
InChI=1S/C19H28F2O/c1-3-5-13-22-17-12-11-16(18(20)19(17)21)15-9-7-14(6-4-2)8-10-15/h11-12,14-15H,3-10,13H2,1-2H3
InChIKey
KYNDSYARZOJNCG-UHFFFAOYSA-N
Compound name
1-butoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

310.21082 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21810 176.0
[M+Na]+ 333.20004 181.2
[M-H]- 309.20354 178.9
[M+NH4]+ 328.24464 191.1
[M+K]+ 349.17398 176.4
[M+H-H2O]+ 293.20808 166.4
[M+HCOO]- 355.20902 192.3
[M+CH3COO]- 369.22467 210.1
[M+Na-2H]- 331.18549 174.2
[M]+ 310.21027 173.2
[M]- 310.21137 173.2
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