CID 57149529

1391636-72-8

Structural Information

Molecular Formula
C11H16ClN3O2S
SMILES
CCN(CC)N=NC1=C(C=CC(=C1)C)S(=O)(=O)Cl
InChI
InChI=1S/C11H16ClN3O2S/c1-4-15(5-2)14-13-10-8-9(3)6-7-11(10)18(12,16)17/h6-8H,4-5H2,1-3H3
InChIKey
PDGZSZLMBJSDQC-UHFFFAOYSA-N
Compound name
2-(diethylaminodiazenyl)-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0652 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07248 163.6
[M+Na]+ 312.05442 172.0
[M-H]- 288.05792 171.8
[M+NH4]+ 307.09902 182.0
[M+K]+ 328.02836 169.2
[M+H-H2O]+ 272.06246 156.9
[M+HCOO]- 334.06340 183.2
[M+CH3COO]- 348.07905 211.7
[M+Na-2H]- 310.03987 167.8
[M]+ 289.06465 171.8
[M]- 289.06575 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.