CID 102630

Desyl bromide

Structural Information

Molecular Formula
C14H11BrO
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey
ZFFBIQMNKOJDJE-UHFFFAOYSA-N
Compound name
2-bromo-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

10902
Patents

273.99933 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00661 154.7
[M+Na]+ 296.98855 163.9
[M-H]- 272.99205 163.4
[M+NH4]+ 292.03315 173.8
[M+K]+ 312.96249 152.7
[M+H-H2O]+ 256.99659 154.0
[M+HCOO]- 318.99753 174.9
[M+CH3COO]- 333.01318 194.7
[M+Na-2H]- 294.97400 161.0
[M]+ 273.99878 171.9
[M]- 273.99988 171.9
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