CID 3066109

109523-86-6

Structural Information

Molecular Formula
C17H19ClO
SMILES
CCCCOCC1=CC=C(C=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C17H19ClO/c1-2-3-12-19-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)18/h4-11H,2-3,12-13H2,1H3
InChIKey
HJCNCEDCDBDWLK-UHFFFAOYSA-N
Compound name
1-(butoxymethyl)-4-(2-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.11246 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11974 163.4
[M+Na]+ 297.10168 180.0
[M+NH4]+ 292.14628 173.4
[M+K]+ 313.07562 169.5
[M-H]- 273.10518 169.2
[M+Na-2H]- 295.08713 173.6
[M]+ 274.11191 168.0
[M]- 274.11301 168.0
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