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]+ 168.021076 128.4
[M+Na]+ 190.003018 140.5
[M-H]- 166.006524 132.8
[M+NH4]+ 185.047623 150.4
[M+K]+ 205.976958 137.5
[M+H-H2O]+ 150.011060 123.1
[M+HCOO]- 212.012001 148.7
[M+CH3COO]- 226.027651 143.9
[M+Na-2H]- 187.988466 138.2
[M]+ 167.01325142 133.7
[M]- 167.01434858 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.