CID 108406

59900-47-9

Structural Information

Molecular Formula
C17H19ClO2
SMILES
CC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)Cl
InChI
InChI=1S/C17H19ClO2/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17H,1-3H3
InChIKey
ZPYHJFLWJSCLQP-UHFFFAOYSA-N
Compound name
1-[2-chloro-1-(4-methoxyphenyl)propyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.10736 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11464 165.8
[M+Na]+ 313.09658 173.1
[M-H]- 289.10008 172.3
[M+NH4]+ 308.14118 182.2
[M+K]+ 329.07052 168.8
[M+H-H2O]+ 273.10462 158.9
[M+HCOO]- 335.10556 183.1
[M+CH3COO]- 349.12121 202.7
[M+Na-2H]- 311.08203 167.9
[M]+ 290.10681 170.6
[M]- 290.10791 170.6
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