CID 41824

Brn 1976761

Structural Information

Molecular Formula
C18H21ClO
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(C)Cl
InChI
InChI=1S/C18H21ClO/c1-4-20-17-11-9-16(10-12-17)18(14(3)19)15-7-5-13(2)6-8-15/h5-12,14,18H,4H2,1-3H3
InChIKey
CCVJJYQDLVQLOB-UHFFFAOYSA-N
Compound name
1-[2-chloro-1-(4-ethoxyphenyl)propyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12808 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13536 167.2
[M+Na]+ 311.11730 174.3
[M-H]- 287.12080 173.5
[M+NH4]+ 306.16190 183.8
[M+K]+ 327.09124 169.1
[M+H-H2O]+ 271.12534 160.3
[M+HCOO]- 333.12628 183.9
[M+CH3COO]- 347.14193 203.7
[M+Na-2H]- 309.10275 168.8
[M]+ 288.12753 171.0
[M]- 288.12863 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

No patent data available for this compound.