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

59
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 160.8
[M+Na]+ 298.05082 173.1
[M+NH4]+ 293.09542 168.0
[M+K]+ 314.02476 165.2
[M-H]- 274.05432 163.9
[M+Na-2H]- 296.03627 168.2
[M]+ 275.06105 163.8
[M]- 275.06215 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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