CID 145912933

(3-ethyl-1,2-oxazol-5-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO3S
SMILES
CCC1=NOC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO3S/c1-2-5-3-6(11-8-5)4-12(7,9)10/h3H,2,4H2,1H3
InChIKey
XFKXFOVVKWFMLM-UHFFFAOYSA-N
Compound name
(3-ethyl-1,2-oxazol-5-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.99135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99863 139.3
[M+Na]+ 231.98057 150.6
[M-H]- 207.98407 143.4
[M+NH4]+ 227.02517 159.2
[M+K]+ 247.95451 148.5
[M+H-H2O]+ 191.98861 135.1
[M+HCOO]- 253.98955 153.2
[M+CH3COO]- 268.00520 178.5
[M+Na-2H]- 229.96602 143.7
[M]+ 208.99080 146.5
[M]- 208.99190 146.5
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.