CID 67559

4-fluoro-n-phenylbenzenesulfonamide

Structural Information

Molecular Formula
C12H10FNO2S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H
InChIKey
LDOCMFAHAVONEI-UHFFFAOYSA-N
Compound name
4-fluoro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

19
Patents

251.04163 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04891 150.6
[M+Na]+ 274.03085 159.3
[M-H]- 250.03435 156.5
[M+NH4]+ 269.07545 167.8
[M+K]+ 290.00479 154.5
[M+H-H2O]+ 234.03889 142.8
[M+HCOO]- 296.03983 169.7
[M+CH3COO]- 310.05548 191.3
[M+Na-2H]- 272.01630 156.6
[M]+ 251.04108 150.8
[M]- 251.04218 150.8
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