CID 55298308

6-(chloromethyl)benzo[d]oxazole

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 127.5
[M+Na]+ 190.00302 143.6
[M+NH4]+ 185.04762 137.8
[M+K]+ 205.97696 137.6
[M-H]- 166.00652 131.5
[M+Na-2H]- 187.98847 135.6
[M]+ 167.01325 131.4
[M]- 167.01435 131.4
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

No patent data available for this compound.