CID 29510

5-chloro-2-methylbenzoxazole

Structural Information

Molecular Formula
C8H6ClNO
SMILES
CC1=NC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
HJCIGAUHTJBHBQ-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

352
Patents

167.0138 Da
Monoisotopic Mass

2.8
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