CID 5275034

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-n-(2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C15H11FN6O3S
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3F)[N+](=O)[O-]
InChI
InChI=1S/C15H11FN6O3S/c16-10-5-1-3-7-12(10)21-15(18-19-20-21)26-9-14(23)17-11-6-2-4-8-13(11)22(24)25/h1-8H,9H2,(H,17,23)
InChIKey
CSHFQBOKBGKHRF-UHFFFAOYSA-N
Compound name
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.05972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06700 177.8
[M+Na]+ 397.04894 184.8
[M-H]- 373.05244 182.3
[M+NH4]+ 392.09354 185.0
[M+K]+ 413.02288 174.7
[M+H-H2O]+ 357.05698 170.7
[M+HCOO]- 419.05792 194.0
[M+CH3COO]- 433.07357 209.1
[M+Na-2H]- 395.03439 182.4
[M]+ 374.05917 176.8
[M]- 374.06027 176.8
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.