CID 46403

64037-29-2

Structural Information

Molecular Formula
C7H5ClN2O4S
SMILES
C1=C(C=C(C2=C1N=C(O2)N)S(=O)(=O)O)Cl
InChI
InChI=1S/C7H5ClN2O4S/c8-3-1-4-6(14-7(9)10-4)5(2-3)15(11,12)13/h1-2H,(H2,9,10)(H,11,12,13)
InChIKey
GBNSTFYSASRNQI-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-1,3-benzoxazole-7-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96585 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97313 148.1
[M+Na]+ 270.95507 160.4
[M+NH4]+ 265.99967 155.1
[M+K]+ 286.92901 156.5
[M-H]- 246.95857 149.2
[M+Na-2H]- 268.94052 151.8
[M]+ 247.96530 150.8
[M]- 247.96640 150.8
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.