CID 3111898

889457-15-2

Structural Information

Molecular Formula
C14H14FN3O2S
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NCCS(=O)(=O)F
InChI
InChI=1S/C14H14FN3O2S/c15-21(19,20)11-10-16-12-6-8-14(9-7-12)18-17-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKey
ZCOSYTPMOHUPJC-UHFFFAOYSA-N
Compound name
2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

307.07907 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08635 165.7
[M+Na]+ 330.06829 172.8
[M-H]- 306.07179 173.6
[M+NH4]+ 325.11289 181.1
[M+K]+ 346.04223 168.5
[M+H-H2O]+ 290.07633 155.9
[M+HCOO]- 352.07727 189.1
[M+CH3COO]- 366.09292 210.9
[M+Na-2H]- 328.05374 172.7
[M]+ 307.07852 167.8
[M]- 307.07962 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe