CID 105942

71205-47-5

Structural Information

Molecular Formula
C12H10ClN3O3S
SMILES
C1=CC(=CC=C1N)N=NC2=C(C=CC(=C2)S(=O)(=O)O)Cl
InChI
InChI=1S/C12H10ClN3O3S/c13-11-6-5-10(20(17,18)19)7-12(11)16-15-9-3-1-8(14)2-4-9/h1-7H,14H2,(H,17,18,19)
InChIKey
HGMHMGJENYQSNT-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)diazenyl]-4-chlorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.01315 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02043 165.9
[M+Na]+ 334.00237 175.5
[M-H]- 310.00587 174.4
[M+NH4]+ 329.04697 181.6
[M+K]+ 349.97631 170.0
[M+H-H2O]+ 294.01041 159.0
[M+HCOO]- 356.01135 184.5
[M+CH3COO]- 370.02700 207.5
[M+Na-2H]- 331.98782 171.3
[M]+ 311.01260 169.9
[M]- 311.01370 169.9
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