CID 112243

69121-21-7

Structural Information

Molecular Formula
C6H3Cl2N2O3S
SMILES
C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)[N+]#N
InChI
InChI=1S/C6H2Cl2N2O3S/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9/h1-2H/p+1
InChIKey
NHUITRBCJABNMZ-UHFFFAOYSA-O
Compound name
2,5-dichloro-4-sulfobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.92415 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.93143 153.5
[M+Na]+ 275.91337 166.5
[M-H]- 251.91687 158.3
[M+NH4]+ 270.95797 170.4
[M+K]+ 291.88731 157.4
[M+H-H2O]+ 235.92141 146.7
[M+HCOO]- 297.92235 161.6
[M+CH3COO]- 311.93800 194.0
[M+Na-2H]- 273.89882 159.1
[M]+ 252.92360 152.7
[M]- 252.92470 152.7
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.