CID 15816924

157368-32-6

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
COC1=CC2=C(C=C1)C(=NO2)Cl
InChI
InChI=1S/C8H6ClNO2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3
InChIKey
WPEIANAOXQFSGV-UHFFFAOYSA-N
Compound name
3-chloro-6-methoxy-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

183.00871 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 131.1
[M+Na]+ 205.99793 144.1
[M-H]- 182.00143 136.0
[M+NH4]+ 201.04253 152.8
[M+K]+ 221.97187 141.7
[M+H-H2O]+ 166.00597 126.1
[M+HCOO]- 228.00691 151.7
[M+CH3COO]- 242.02256 146.9
[M+Na-2H]- 203.98338 140.4
[M]+ 183.00816 138.4
[M]- 183.00926 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