CID 3054163

Ethanol, 2-(4-(p-chlorobenzyl)phenoxy)-

Structural Information

Molecular Formula
C15H15ClO2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)OCCO
InChI
InChI=1S/C15H15ClO2/c16-14-5-1-12(2-6-14)11-13-3-7-15(8-4-13)18-10-9-17/h1-8,17H,9-11H2
InChIKey
AWGCTBIVQOOIDO-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.07605 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08333 157.1
[M+Na]+ 285.06527 165.5
[M-H]- 261.06877 162.4
[M+NH4]+ 280.10987 174.1
[M+K]+ 301.03921 159.8
[M+H-H2O]+ 245.07331 150.7
[M+HCOO]- 307.07425 175.6
[M+CH3COO]- 321.08990 192.5
[M+Na-2H]- 283.05072 162.3
[M]+ 262.07550 160.5
[M]- 262.07660 160.5
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