CID 168711

Benzenediazonium, 5-((diethylamino)sulfonyl)-2-methoxy-

Structural Information

Molecular Formula
C11H16N3O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N
InChI
InChI=1S/C11H16N3O3S/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12/h6-8H,4-5H2,1-3H3/q+1
InChIKey
QPRGGJBGRUMFBU-UHFFFAOYSA-N
Compound name
5-(diethylsulfamoyl)-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

270.09125 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09853 165.2
[M+Na]+ 293.08047 174.3
[M-H]- 269.08397 171.6
[M+NH4]+ 288.12507 180.8
[M+K]+ 309.05441 168.7
[M+H-H2O]+ 253.08851 154.0
[M+HCOO]- 315.08945 182.8
[M+CH3COO]- 329.10510 208.7
[M+Na-2H]- 291.06592 170.5
[M]+ 270.09070 164.9
[M]- 270.09180 164.9
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

patents stripe