CID 2757069

260969-08-2

Structural Information

Molecular Formula
C13H11BrFNO2S
SMILES
C1=CC(=CC=C1CBr)S(=O)(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H11BrFNO2S/c14-9-10-1-7-13(8-2-10)19(17,18)16-12-5-3-11(15)4-6-12/h1-8,16H,9H2
InChIKey
SFYHVQBHPYZLHF-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-N-(4-fluorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

342.9678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.97508 156.4
[M+Na]+ 365.95702 159.7
[M+NH4]+ 361.00162 160.6
[M+K]+ 381.93096 157.9
[M-H]- 341.96052 157.6
[M+Na-2H]- 363.94247 161.7
[M]+ 342.96725 156.5
[M]- 342.96835 156.5
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