CID 105470

67599-11-5

Structural Information

Molecular Formula
C10H14ClN3O4S
SMILES
CN(CCS(=O)(=O)O)N=NC1=C(C=CC(=C1)Cl)OC
InChI
InChI=1S/C10H14ClN3O4S/c1-14(5-6-19(15,16)17)13-12-9-7-8(11)3-4-10(9)18-2/h3-4,7H,5-6H2,1-2H3,(H,15,16,17)
InChIKey
VVYXVQVEANVQIV-UHFFFAOYSA-N
Compound name
2-[[(5-chloro-2-methoxyphenyl)diazenyl]-methylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.03937 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04665 164.2
[M+Na]+ 330.02859 172.0
[M-H]- 306.03209 171.0
[M+NH4]+ 325.07319 180.9
[M+K]+ 346.00253 169.8
[M+H-H2O]+ 290.03663 157.6
[M+HCOO]- 352.03757 183.1
[M+CH3COO]- 366.05322 210.5
[M+Na-2H]- 328.01404 169.0
[M]+ 307.03882 172.9
[M]- 307.03992 172.9
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.