CID 55298308

1314982-48-3

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1=CC2=C(C=C1CCl)OC=N2
InChI
InChI=1S/C8H6ClNO/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2
InChIKey
YVLVYGZDSIBRAV-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0138 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 128.4
[M+Na]+ 190.00302 140.5
[M-H]- 166.00652 132.8
[M+NH4]+ 185.04762 150.4
[M+K]+ 205.97696 137.5
[M+H-H2O]+ 150.01106 123.1
[M+HCOO]- 212.01200 148.7
[M+CH3COO]- 226.02765 143.9
[M+Na-2H]- 187.98847 138.2
[M]+ 167.01325 133.7
[M]- 167.01435 133.7
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

No patent data available for this compound.