CID 117760

Einecs 247-522-7

Structural Information

Molecular Formula
C7H8N2O5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)NN
InChI
InChI=1S/C7H8N2O5S/c8-9-6-2-1-4(15(12,13)14)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)(H,12,13,14)
InChIKey
OGBHOBCGEADUOZ-UHFFFAOYSA-N
Compound name
2-hydrazinyl-5-sulfobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

232.0154 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.022676 144.0
[M+Na]+ 255.004618 151.3
[M-H]- 231.008124 144.9
[M+NH4]+ 250.049223 159.7
[M+K]+ 270.978558 148.2
[M+H-H2O]+ 215.012660 138.1
[M+HCOO]- 277.013601 160.9
[M+CH3COO]- 291.029251 185.6
[M+Na-2H]- 252.990066 147.6
[M]+ 232.01485142 143.5
[M]- 232.01594858 143.5
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