CID 130853212

1806287-19-3

Structural Information

Molecular Formula
C9H8ClNO
SMILES
CC1=NC2=C(C=CC=C2O1)CCl
InChI
InChI=1S/C9H8ClNO/c1-6-11-9-7(5-10)3-2-4-8(9)12-6/h2-4H,5H2,1H3
InChIKey
JWWCWCYLRXAOEE-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 131.9
[M+Na]+ 204.01865 148.2
[M+NH4]+ 199.06325 142.1
[M+K]+ 219.99259 142.2
[M-H]- 180.02215 135.9
[M+Na-2H]- 202.00410 139.5
[M]+ 181.02888 135.9
[M]- 181.02998 135.9
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