CID 111181

Benzenesulfonic acid, 5-amino-2-(2-phenylethenyl)-

Structural Information

Molecular Formula
C14H13NO3S
SMILES
C1=CC=C(C=C1)C=CC2=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)
InChIKey
QBHYFEWQILVXEN-UHFFFAOYSA-N
Compound name
5-amino-2-(2-phenylethenyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

275.0616 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06888 160.4
[M+Na]+ 298.05082 168.7
[M-H]- 274.05432 165.8
[M+NH4]+ 293.09542 175.8
[M+K]+ 314.02476 162.7
[M+H-H2O]+ 258.05886 153.6
[M+HCOO]- 320.05980 178.1
[M+CH3COO]- 334.07545 193.5
[M+Na-2H]- 296.03627 164.0
[M]+ 275.06105 160.5
[M]- 275.06215 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