CID 53212018

1285177-04-9

Structural Information

Molecular Formula
C9H8ClNO4S
SMILES
CC1=C(ON=C1C)C2=CC=C(O2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO4S/c1-5-6(2)11-15-9(5)7-3-4-8(14-7)16(10,12)13/h3-4H,1-2H3
InChIKey
ZDQKUWGNGCITNF-UHFFFAOYSA-N
Compound name
5-(3,4-dimethyl-1,2-oxazol-5-yl)furan-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.98627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99355 152.4
[M+Na]+ 283.97549 166.6
[M-H]- 259.97899 161.8
[M+NH4]+ 279.02009 171.1
[M+K]+ 299.94943 165.1
[M+H-H2O]+ 243.98353 148.9
[M+HCOO]- 305.98447 168.4
[M+CH3COO]- 320.00012 187.9
[M+Na-2H]- 281.96094 155.5
[M]+ 260.98572 163.4
[M]- 260.98682 163.4
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.