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
1
Annotation Hits

0
References

57
Patents

232.0154 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02268 144.0
[M+Na]+ 255.00462 151.3
[M-H]- 231.00812 144.9
[M+NH4]+ 250.04922 159.7
[M+K]+ 270.97856 148.2
[M+H-H2O]+ 215.01266 138.1
[M+HCOO]- 277.01360 160.9
[M+CH3COO]- 291.02925 185.6
[M+Na-2H]- 252.99007 147.6
[M]+ 232.01485 143.5
[M]- 232.01595 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