CID 137935931

2253630-24-7

Structural Information

Molecular Formula
C7H8ClNO3S
SMILES
C1CC1C2=NOC(=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO3S/c8-13(10,11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2
InChIKey
WTDMAWQKOZZKFE-UHFFFAOYSA-N
Compound name
(3-cyclopropyl-1,2-oxazol-5-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.99135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99863 140.9
[M+Na]+ 243.98057 153.0
[M-H]- 219.98407 148.5
[M+NH4]+ 239.02517 155.2
[M+K]+ 259.95451 149.8
[M+H-H2O]+ 203.98861 135.5
[M+HCOO]- 265.98955 154.7
[M+CH3COO]- 280.00520 183.4
[M+Na-2H]- 241.96602 145.1
[M]+ 220.99080 149.2
[M]- 220.99190 149.2
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.