CID 9989607

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

Structural Information

Molecular Formula
C8H6ClNO
SMILES
CC1=CC2=C(C=C1)OC(=N2)Cl
InChI
InChI=1S/C8H6ClNO/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3
InChIKey
AVJUFHRBOJNDFG-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

167.0138 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 127.2
[M+Na]+ 190.00302 143.7
[M+NH4]+ 185.04762 137.5
[M+K]+ 205.97696 138.0
[M-H]- 166.00652 131.2
[M+Na-2H]- 187.98847 135.1
[M]+ 167.01325 131.2
[M]- 167.01435 131.2
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