CID 1150787

N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide

Structural Information

Molecular Formula
C16H11FN4O4S
SMILES
C1=CC=C(C(=C1)OCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F
InChI
InChI=1S/C16H11FN4O4S/c17-12-3-1-2-4-13(12)25-9-14-19-20-16(26-14)18-15(22)10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,20,22)
InChIKey
AQDJFSABVGPFCQ-UHFFFAOYSA-N
Compound name
N-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0485 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05578 179.3
[M+Na]+ 397.03772 185.5
[M-H]- 373.04122 186.0
[M+NH4]+ 392.08232 189.0
[M+K]+ 413.01166 176.4
[M+H-H2O]+ 357.04576 173.0
[M+HCOO]- 419.04670 197.9
[M+CH3COO]- 433.06235 208.5
[M+Na-2H]- 395.02317 183.1
[M]+ 374.04795 179.2
[M]- 374.04905 179.2
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

No patent data available for this compound.