CID 14012504

72498-11-4

Structural Information

Molecular Formula

C₈H₆ClNO₂

SMILES

COC1=C(C2=C(C=C1)C=NO2)Cl

InChI

InChI=1S/C8H6ClNO2/c1-11-6-3-2-5-4-10-12-8(5)7(6)9/h2-4H,1H3

InChIKey

XFJBVHAXOJRBRI-UHFFFAOYSA-N

Compound name

7-chloro-6-methoxy-1,2-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.00871 Da
Monoisotopic Mass: 2.3
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]+	184.01599	130.4
[M+Na]+	205.99793	146.3
[M+NH4]+	201.04253	140.1
[M+K]+	221.97187	141.2
[M-H]-	182.00143	133.9
[M+Na-2H]-	203.98338	137.8
[M]+	183.00816	134.1
[M]-	183.00926	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe