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 158.8
[M+Na]+ 365.95702 170.7
[M-H]- 341.96052 167.0
[M+NH4]+ 361.00162 176.3
[M+K]+ 381.93096 157.2
[M+H-H2O]+ 325.96506 157.0
[M+HCOO]- 387.96600 175.3
[M+CH3COO]- 401.98165 204.4
[M+Na-2H]- 363.94247 165.1
[M]+ 342.96725 178.2
[M]- 342.96835 178.2
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