CID 10081031

143708-32-1

Structural Information

Molecular Formula
C9H8ClNO
SMILES
CC1=C2C(=CC=C1)OC(=N2)CCl
InChI
InChI=1S/C9H8ClNO/c1-6-3-2-4-7-9(6)11-8(5-10)12-7/h2-4H,5H2,1H3
InChIKey
NOIXGDYQXXKPLT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

181.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 133.1
[M+Na]+ 204.018648 145.8
[M-H]- 180.022154 137.8
[M+NH4]+ 199.063253 154.9
[M+K]+ 219.992588 142.5
[M+H-H2O]+ 164.026690 128.0
[M+HCOO]- 226.027631 153.1
[M+CH3COO]- 240.043281 148.6
[M+Na-2H]- 202.004096 141.7
[M]+ 181.02888142 139.3
[M]- 181.02997858 139.3
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