CID 4259817

Bromoacetic anhydride

Structural Information

Molecular Formula

C₄H₄Br₂O₃

SMILES

C(C(=O)OC(=O)CBr)Br

InChI

InChI=1S/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2

InChIKey

FUKOTTQGWQVMQB-UHFFFAOYSA-N

Compound name

(2-bromoacetyl) 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2311
Patents: 257.85272 Da
Monoisotopic Mass: 1.5
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]+	258.86000	130.3
[M+Na]+	280.84194	141.1
[M-H]-	256.84544	134.6
[M+NH4]+	275.88654	150.5
[M+K]+	296.81588	126.7
[M+H-H2O]+	240.84998	138.2
[M+HCOO]-	302.85092	146.0
[M+CH3COO]-	316.86657	195.6
[M+Na-2H]-	278.82739	137.0
[M]+	257.85217	165.2
[M]-	257.85327	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe