CID 71757015

3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClN2O3S
SMILES
C1CC1C2=NOC3=C2C=C(C=N3)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O3S/c10-16(13,14)6-3-7-8(5-1-2-5)12-15-9(7)11-4-6/h3-5H,1-2H2
InChIKey
UOJGNCVZXPULDH-UHFFFAOYSA-N
Compound name
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9866 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99388 152.6
[M+Na]+ 280.97582 167.1
[M-H]- 256.97932 160.0
[M+NH4]+ 276.02042 165.3
[M+K]+ 296.94976 162.7
[M+H-H2O]+ 240.98386 146.7
[M+HCOO]- 302.98480 165.8
[M+CH3COO]- 317.00045 166.0
[M+Na-2H]- 278.96127 158.3
[M]+ 257.98605 162.7
[M]- 257.98715 162.7
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.