CID 105468

67599-10-4

Structural Information

Molecular Formula
C10H14ClN3O3S
SMILES
CC1=C(C=CC(=C1)Cl)N=NN(C)CCS(=O)(=O)O
InChI
InChI=1S/C10H14ClN3O3S/c1-8-7-9(11)3-4-10(8)12-13-14(2)5-6-18(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,15,16,17)
InChIKey
DZSQODJYDLSEOB-UHFFFAOYSA-N
Compound name
2-[[(4-chloro-2-methylphenyl)diazenyl]-methylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04443 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05171 161.7
[M+Na]+ 314.03365 169.9
[M-H]- 290.03715 168.6
[M+NH4]+ 309.07825 179.2
[M+K]+ 330.00759 167.0
[M+H-H2O]+ 274.04169 155.4
[M+HCOO]- 336.04263 180.5
[M+CH3COO]- 350.05828 208.3
[M+Na-2H]- 312.01910 166.3
[M]+ 291.04388 169.1
[M]- 291.04498 169.1
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.