CID 33700608

2-(chloromethyl)-5-(ethanesulfonyl)-1,3-benzoxazole

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)CCl
InChI
InChI=1S/C10H10ClNO3S/c1-2-16(13,14)7-3-4-9-8(5-7)12-10(6-11)15-9/h3-5H,2,6H2,1H3
InChIKey
FKEAONHKWDBRJI-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-ethylsulfonyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.014276 152.2
[M+Na]+ 281.996218 165.3
[M-H]- 257.999724 157.7
[M+NH4]+ 277.040823 171.5
[M+K]+ 297.970158 161.7
[M+H-H2O]+ 242.004260 147.8
[M+HCOO]- 304.005201 166.2
[M+CH3COO]- 318.020851 188.8
[M+Na-2H]- 279.981666 158.0
[M]+ 259.00645142 161.9
[M]- 259.00754858 161.9
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

No patent data available for this compound.