CID 46385

64037-12-3

Structural Information

Molecular Formula

C₇H₄Cl₂N₂O

SMILES

C1=C2C(=CC(=C1Cl)Cl)OC(=N2)N

InChI

InChI=1S/C7H4Cl2N2O/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)

InChIKey

IHWQUKMGROAAEH-UHFFFAOYSA-N

Compound name

5,6-dichloro-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 201.97006 Da
Monoisotopic Mass: 3.1
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]+	202.97734	136.6
[M+Na]+	224.95928	150.3
[M-H]-	200.96278	140.5
[M+NH4]+	220.00388	157.4
[M+K]+	240.93322	145.7
[M+H-H2O]+	184.96732	132.1
[M+HCOO]-	246.96826	152.3
[M+CH3COO]-	260.98391	151.4
[M+Na-2H]-	222.94473	143.8
[M]+	201.96951	141.6
[M]-	201.97061	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe