CID 43113948

2-(1-chloroethyl)-1,3-benzoxazole

Structural Information

Molecular Formula
C9H8ClNO
SMILES
CC(C1=NC2=CC=CC=C2O1)Cl
InChI
InChI=1S/C9H8ClNO/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3
InChIKey
PBDKIPQEQVWJHW-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 132.4
[M+Na]+ 204.01865 147.9
[M+NH4]+ 199.06325 142.4
[M+K]+ 219.99259 142.5
[M-H]- 180.02215 136.1
[M+Na-2H]- 202.00410 139.9
[M]+ 181.02888 136.1
[M]- 181.02998 136.1
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.