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]+ 260.01428 152.2
[M+Na]+ 281.99622 165.3
[M-H]- 257.99972 157.7
[M+NH4]+ 277.04082 171.5
[M+K]+ 297.97016 161.7
[M+H-H2O]+ 242.00426 147.8
[M+HCOO]- 304.00520 166.2
[M+CH3COO]- 318.02085 188.8
[M+Na-2H]- 279.98167 158.0
[M]+ 259.00645 161.9
[M]- 259.00755 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.