CID 6437616

4-aminostilbene-2-sulphonic acid

Structural Information

Molecular Formula
C14H13NO3S
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C14H13NO3S/c15-13-9-8-12(14(10-13)19(16,17)18)7-6-11-4-2-1-3-5-11/h1-10H,15H2,(H,16,17,18)/b7-6+
InChIKey
QBHYFEWQILVXEN-VOTSOKGWSA-N
Compound name
5-amino-2-[(E)-2-phenylethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

275.0616 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.068876 160.4
[M+Na]+ 298.050818 168.7
[M-H]- 274.054324 165.8
[M+NH4]+ 293.095423 175.8
[M+K]+ 314.024758 162.7
[M+H-H2O]+ 258.058860 153.6
[M+HCOO]- 320.059801 178.1
[M+CH3COO]- 334.075451 193.5
[M+Na-2H]- 296.036266 164.0
[M]+ 275.06105142 160.5
[M]- 275.06214858 160.5
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