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 146.0
[M+Na]+ 270.95507 159.4
[M-H]- 246.95857 150.2
[M+NH4]+ 265.99967 164.5
[M+K]+ 286.92901 155.7
[M+H-H2O]+ 230.96311 142.2
[M+HCOO]- 292.96405 159.9
[M+CH3COO]- 306.97970 185.3
[M+Na-2H]- 268.94052 152.2
[M]+ 247.96530 152.9
[M]- 247.96640 152.9
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.