CID 59854061

3-amino-1,2-benzoxazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C(=NO2)N
InChI
InChI=1S/C7H5ClN2O3S/c8-14(11,12)4-1-2-6-5(3-4)7(9)10-13-6/h1-3H,(H2,9,10)
InChIKey
UMAXYGVALBAZOK-UHFFFAOYSA-N
Compound name
3-amino-1,2-benzoxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.97095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97823 144.5
[M+Na]+ 254.96017 157.5
[M+NH4]+ 250.00477 152.4
[M+K]+ 270.93411 152.5
[M-H]- 230.96367 146.5
[M+Na-2H]- 252.94562 149.4
[M]+ 231.97040 147.6
[M]- 231.97150 147.6
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

patents stripe