CID 19766032

2-(chloromethyl)-1,3-benzoxazol-6-ol

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=CC2=C(C=C1O)OC(=N2)CCl
InChI
InChI=1S/C8H6ClNO2/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H,4H2
InChIKey
GTNJJDZGFZHAGW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

183.00871 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 131.0
[M+Na]+ 205.99793 146.4
[M+NH4]+ 201.04253 140.4
[M+K]+ 221.97187 141.5
[M-H]- 182.00143 134.0
[M+Na-2H]- 203.98338 137.8
[M]+ 183.00816 134.4
[M]- 183.00926 134.4
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

patents stripe