CID 256600

4-(phenylazo)phenylhydrazinosulfonic acid

Structural Information

Molecular Formula
C12H12N4O3S
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NNS(=O)(=O)O
InChI
InChI=1S/C12H12N4O3S/c17-20(18,19)16-15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15-16H,(H,17,18,19)
InChIKey
TZKDKKHSIYNFRY-UHFFFAOYSA-N
Compound name
(4-phenyldiazenylanilino)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

292.06302 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07030 159.5
[M+Na]+ 315.05224 165.8
[M-H]- 291.05574 167.5
[M+NH4]+ 310.09684 174.2
[M+K]+ 331.02618 162.1
[M+H-H2O]+ 275.06028 150.7
[M+HCOO]- 337.06122 184.2
[M+CH3COO]- 351.07687 207.3
[M+Na-2H]- 313.03769 168.6
[M]+ 292.06247 160.7
[M]- 292.06357 160.7
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

patents stripe