CID 16499

2139-00-6

Structural Information

Molecular Formula

C₈H₇ClN₂O₂

SMILES

COC1=C(C=C2C(=C1)OC(=N2)N)Cl

InChI

InChI=1S/C8H7ClN2O2/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)

InChIKey

GOYJQKVVEOIVCJ-UHFFFAOYSA-N

Compound name

5-chloro-6-methoxy-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.0196 Da
Monoisotopic Mass: 2.4
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]+	199.02688	136.7
[M+Na]+	221.00882	149.6
[M-H]-	197.01232	141.4
[M+NH4]+	216.05342	157.4
[M+K]+	236.98276	146.7
[M+H-H2O]+	181.01686	131.4
[M+HCOO]-	243.01780	157.6
[M+CH3COO]-	257.03345	151.9
[M+Na-2H]-	218.99427	144.5
[M]+	198.01905	142.6
[M]-	198.02015	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe