CID 40236

52112-67-1

Structural Information

Molecular Formula

C₇H₄Br₂N₂O

SMILES

C1=C(C=C(C2=C1N=C(O2)N)Br)Br

InChI

InChI=1S/C7H4Br2N2O/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)

InChIKey

FXYIDUGIODSYAI-UHFFFAOYSA-N

Compound name

5,7-dibromo-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 289.86905 Da
Monoisotopic Mass: 2.8
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]+	290.876326	139.1
[M+Na]+	312.858268	152.5
[M-H]-	288.861774	146.6
[M+NH4]+	307.902873	158.7
[M+K]+	328.832208	138.0
[M+H-H2O]+	272.866310	146.8
[M+HCOO]-	334.867251	156.5
[M+CH3COO]-	348.882901	154.4
[M+Na-2H]-	310.843716	147.7
[M]+	289.86850142	174.6
[M]-	289.86959858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe