CID 483458

2-amino-6-(2-fluoro-benzenesulfonyl)-benzonitrile

Structural Information

Molecular Formula
C13H9FN2O2S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)C2=CC=CC(=C2C#N)N
InChI
InChI=1S/C13H9FN2O2S/c14-10-4-1-2-6-13(10)19(17,18)12-7-3-5-11(16)9(12)8-15/h1-7H,16H2
InChIKey
MBHOZDSUDFTYGO-UHFFFAOYSA-N
Compound name
2-amino-6-(2-fluorophenyl)sulfonylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.03687 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04415 169.4
[M+Na]+ 299.02609 181.2
[M-H]- 275.02959 174.4
[M+NH4]+ 294.07069 183.9
[M+K]+ 315.00003 175.3
[M+H-H2O]+ 259.03413 155.4
[M+HCOO]- 321.03507 183.8
[M+CH3COO]- 335.05072 207.9
[M+Na-2H]- 297.01154 171.2
[M]+ 276.03632 164.2
[M]- 276.03742 164.2
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

No patent data available for this compound.