CID 4640671

4-bromomethyl benzoyl bromide

Structural Information

Molecular Formula
C8H6Br2O
SMILES
C1=CC(=CC=C1CBr)C(=O)Br
InChI
InChI=1S/C8H6Br2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
InChIKey
VUYGJYAPDGKPBF-UHFFFAOYSA-N
Compound name
4-(bromomethyl)benzoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

275.87854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.88582 141.9
[M+Na]+ 298.86776 137.4
[M+NH4]+ 293.91236 144.2
[M+K]+ 314.84170 143.7
[M-H]- 274.87126 142.8
[M+Na-2H]- 296.85321 144.1
[M]+ 275.87799 140.4
[M]- 275.87909 140.4
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

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