CID 86812186

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

Structural Information

Molecular Formula
C8H12ClNO3S
SMILES
CC(C)(C)C1=CC(=NO1)CS(=O)(=O)Cl
InChI
InChI=1S/C8H12ClNO3S/c1-8(2,3)7-4-6(10-13-7)5-14(9,11)12/h4H,5H2,1-3H3
InChIKey
RMFLEGXHBIWIGT-UHFFFAOYSA-N
Compound name
(5-tert-butyl-1,2-oxazol-3-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 149.1
[M+Na]+ 260.01186 159.8
[M-H]- 236.01536 153.2
[M+NH4]+ 255.05646 168.0
[M+K]+ 275.98580 157.8
[M+H-H2O]+ 220.01990 145.0
[M+HCOO]- 282.02084 160.8
[M+CH3COO]- 296.03649 184.3
[M+Na-2H]- 257.99731 153.5
[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.