CID 3628385

P-benzoylbenzalbromid

Structural Information

Molecular Formula

C₁₄H₁₀Br₂O

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(Br)Br

InChI

InChI=1S/C14H10Br2O/c15-14(16)12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,14H

InChIKey

QIQYDFVEYFRGRS-UHFFFAOYSA-N

Compound name

[4-(dibromomethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 351.90985 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.91713	157.3
[M+Na]+	374.89907	166.2
[M-H]-	350.90257	166.0
[M+NH4]+	369.94367	174.2
[M+K]+	390.87301	151.2
[M+H-H2O]+	334.90711	165.1
[M+HCOO]-	396.90805	172.3
[M+CH3COO]-	410.92370	211.0
[M+Na-2H]-	372.88452	162.6
[M]+	351.90930	190.4
[M]-	351.91040	190.4

Literature stripe

literature stripe

Patent stripe

patents stripe