CID 14169822

2-chloro-7-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C8H6ClNO
SMILES
CC1=C2C(=CC=C1)N=C(O2)Cl
InChI
InChI=1S/C8H6ClNO/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3
InChIKey
YRMVIUOSPZWDLP-UHFFFAOYSA-N
Compound name
2-chloro-7-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 128.2
[M+Na]+ 190.00302 141.3
[M-H]- 166.00652 133.1
[M+NH4]+ 185.04762 150.6
[M+K]+ 205.97696 138.3
[M+H-H2O]+ 150.01106 123.3
[M+HCOO]- 212.01200 148.6
[M+CH3COO]- 226.02765 144.1
[M+Na-2H]- 187.98847 137.4
[M]+ 167.01325 134.0
[M]- 167.01435 134.0
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