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 131.6
[M+Na]+ 205.99793 144.1
[M-H]- 182.00143 135.1
[M+NH4]+ 201.04253 152.5
[M+K]+ 221.97187 140.8
[M+H-H2O]+ 166.00597 126.8
[M+HCOO]- 228.00691 150.6
[M+CH3COO]- 242.02256 146.7
[M+Na-2H]- 203.98338 140.4
[M]+ 183.00816 137.0
[M]- 183.00926 137.0
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