CID 10679042

93794-39-9

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
COC1=CC2=C(C=C1)N=C(O2)Cl
InChI
InChI=1S/C8H6ClNO2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
InChIKey
SCMOOWBWHIIZBM-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

183.00871 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.015986 131.1
[M+Na]+ 205.997928 144.1
[M-H]- 182.001434 136.0
[M+NH4]+ 201.042533 152.8
[M+K]+ 221.971868 141.7
[M+H-H2O]+ 166.005970 126.1
[M+HCOO]- 228.006911 151.7
[M+CH3COO]- 242.022561 146.9
[M+Na-2H]- 203.983376 140.4
[M]+ 183.00816142 138.4
[M]- 183.00925858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe