CID 988134

256521-73-0

Structural Information

Molecular Formula
C16H16BrFN2O4S
SMILES
C1=CC(=CC=C1NC(=O)CN(CCO)S(=O)(=O)C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C16H16BrFN2O4S/c17-12-1-7-15(8-2-12)25(23,24)20(9-10-21)11-16(22)19-14-5-3-13(18)4-6-14/h1-8,21H,9-11H2,(H,19,22)
InChIKey
KIZLPIJRVZLUNK-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.99982 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.00710 179.5
[M+Na]+ 452.98904 187.9
[M-H]- 428.99254 186.7
[M+NH4]+ 448.03364 192.5
[M+K]+ 468.96298 175.2
[M+H-H2O]+ 412.99708 175.9
[M+HCOO]- 474.99802 194.3
[M+CH3COO]- 489.01367 221.8
[M+Na-2H]- 450.97449 183.4
[M]+ 429.99927 199.6
[M]- 430.00037 199.6
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

No patent data available for this compound.