CID 173706

Brn 2129093

Structural Information

Molecular Formula
C18H21ClO2
SMILES
CC(C)(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)Cl
InChI
InChI=1S/C18H21ClO2/c1-18(2,19)17(13-5-9-15(20-3)10-6-13)14-7-11-16(21-4)12-8-14/h5-12,17H,1-4H3
InChIKey
HGUMOBCSRFLMHU-UHFFFAOYSA-N
Compound name
1-[2-chloro-1-(4-methoxyphenyl)-2-methylpropyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12302 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13030 170.5
[M+Na]+ 327.11224 178.1
[M-H]- 303.11574 177.1
[M+NH4]+ 322.15684 186.6
[M+K]+ 343.08618 173.6
[M+H-H2O]+ 287.12028 163.8
[M+HCOO]- 349.12122 186.8
[M+CH3COO]- 363.13687 205.2
[M+Na-2H]- 325.09769 174.1
[M]+ 304.12247 175.8
[M]- 304.12357 175.8
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

No patent data available for this compound.