CID 165649811

(3-butyl-1,2-oxazol-5-yl)methanesulfonylchloride

Structural Information

Molecular Formula
C8H12ClNO3S
SMILES
CCCCC1=NOC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C8H12ClNO3S/c1-2-3-4-7-5-8(13-10-7)6-14(9,11)12/h5H,2-4,6H2,1H3
InChIKey
XVSDNLYYZKAAPS-UHFFFAOYSA-N
Compound name
(3-butyl-1,2-oxazol-5-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02992 148.5
[M+Na]+ 260.01186 158.9
[M-H]- 236.01536 152.3
[M+NH4]+ 255.05646 167.2
[M+K]+ 275.98580 156.3
[M+H-H2O]+ 220.01990 143.8
[M+HCOO]- 282.02084 161.7
[M+CH3COO]- 296.03649 184.5
[M+Na-2H]- 257.99731 151.9
[M]+ 237.02209 156.4
[M]- 237.02319 156.4
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.