CID 11819712

2-chloro-5-methoxy-1,3-benzoxazole

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
COC1=CC2=C(C=C1)OC(=N2)Cl
InChI
InChI=1S/C8H6ClNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChIKey
BRENVJPPZRBCPU-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
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

literature stripe

Patent stripe

patents stripe