CID 11953372

4-(2-chloroethoxy)benzophenone

Structural Information

Molecular Formula
C15H13ClO2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCl
InChI
InChI=1S/C15H13ClO2/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
JDXBAJHRIRDYNV-UHFFFAOYSA-N
Compound name
[4-(2-chloroethoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.0604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06768 156.2
[M+Na]+ 283.04962 164.1
[M-H]- 259.05312 162.6
[M+NH4]+ 278.09422 173.5
[M+K]+ 299.02356 159.1
[M+H-H2O]+ 243.05766 149.4
[M+HCOO]- 305.05860 175.3
[M+CH3COO]- 319.07425 194.0
[M+Na-2H]- 281.03507 161.3
[M]+ 260.05985 159.8
[M]- 260.06095 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe