CID 1991444

2-[(4-bromophenyl)sulfanyl]-n-(4-fluoro-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C14H10BrFN2O3S
SMILES
C1=CC(=CC=C1SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Br
InChI
InChI=1S/C14H10BrFN2O3S/c15-9-1-4-11(5-2-9)22-8-14(19)17-10-3-6-12(16)13(7-10)18(20)21/h1-7H,8H2,(H,17,19)
InChIKey
BGLCBWUVGSXUDC-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.95795 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.96523 168.5
[M+Na]+ 406.94717 177.7
[M-H]- 382.95067 176.2
[M+NH4]+ 401.99177 183.2
[M+K]+ 422.92111 160.5
[M+H-H2O]+ 366.95521 169.4
[M+HCOO]- 428.95615 185.4
[M+CH3COO]- 442.97180 207.9
[M+Na-2H]- 404.93262 173.3
[M]+ 383.95740 186.5
[M]- 383.95850 186.5
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

No patent data available for this compound.