CID 71757016

1423026-68-9

Structural Information

Molecular Formula
C8H7ClN2O3S
SMILES
CCC1=NOC2=C1C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3
InChIKey
MKTIKWLANFECEW-UHFFFAOYSA-N
Compound name
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.98659 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99387 147.2
[M+Na]+ 268.97581 161.2
[M-H]- 244.97931 151.6
[M+NH4]+ 264.02041 165.7
[M+K]+ 284.94975 158.0
[M+H-H2O]+ 228.98385 142.3
[M+HCOO]- 290.98479 160.5
[M+CH3COO]- 305.00044 185.6
[M+Na-2H]- 266.96126 153.7
[M]+ 245.98604 156.5
[M]- 245.98714 156.5
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.