CID 21656478

1,3-benzoxazole-6-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClNO3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)OC=N2
InChI
InChI=1S/C7H4ClNO3S/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H
InChIKey
DJUJCYDIJTVPHD-UHFFFAOYSA-N
Compound name
1,3-benzoxazole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.96004 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96732 138.4
[M+Na]+ 239.94926 152.0
[M-H]- 215.95276 144.0
[M+NH4]+ 234.99386 159.1
[M+K]+ 255.92320 149.1
[M+H-H2O]+ 199.95730 134.4
[M+HCOO]- 261.95824 153.4
[M+CH3COO]- 275.97389 178.7
[M+Na-2H]- 237.93471 146.3
[M]+ 216.95949 146.6
[M]- 216.96059 146.6
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