CID 165750148

2803863-21-8

Structural Information

Molecular Formula
C8H6ClNO4S
SMILES
CC1=CC=C(O1)C2=C(C=NO2)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO4S/c1-5-2-3-6(13-5)8-7(4-10-14-8)15(9,11)12/h2-4H,1H3
InChIKey
HHEXBNPXZSDMCL-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.97061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97789 148.1
[M+Na]+ 269.95983 161.9
[M-H]- 245.96333 157.3
[M+NH4]+ 265.00443 167.1
[M+K]+ 285.93377 160.7
[M+H-H2O]+ 229.96787 144.4
[M+HCOO]- 291.96881 164.5
[M+CH3COO]- 305.98446 183.8
[M+Na-2H]- 267.94528 152.3
[M]+ 246.97006 158.3
[M]- 246.97116 158.3
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.