CID 3766410

4-benzyloxybenzoylchloride

Structural Information

Molecular Formula
C14H11ClO2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C14H11ClO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
ICEKEZSKMGHZNT-UHFFFAOYSA-N
Compound name
4-phenylmethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

850
Patents

246.04475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 151.5
[M+Na]+ 269.03397 159.8
[M-H]- 245.03747 158.1
[M+NH4]+ 264.07857 169.3
[M+K]+ 285.00791 155.0
[M+H-H2O]+ 229.04201 144.9
[M+HCOO]- 291.04295 171.0
[M+CH3COO]- 305.05860 191.0
[M+Na-2H]- 267.01942 157.2
[M]+ 246.04420 154.7
[M]- 246.04530 154.7
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