CID 2740039

Ns00016215

Structural Information

Molecular Formula
C17H11F3N2O2S2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=NOC(=O)C2=CC=C(S2)C3=CC=CS3)N
InChI
InChI=1S/C17H11F3N2O2S2/c18-17(19,20)11-4-1-3-10(9-11)15(21)22-24-16(23)14-7-6-13(26-14)12-5-2-8-25-12/h1-9H,(H2,21,22)
InChIKey
BPAODJMFXDDVSH-UHFFFAOYSA-N
Compound name
[[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.0214 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.028676 187.3
[M+Na]+ 419.010618 196.5
[M-H]- 395.014124 195.0
[M+NH4]+ 414.055223 202.6
[M+K]+ 434.984558 190.6
[M+H-H2O]+ 379.018660 178.1
[M+HCOO]- 441.019601 201.6
[M+CH3COO]- 455.035251 218.7
[M+Na-2H]- 416.996066 184.9
[M]+ 396.02085142 188.7
[M]- 396.02194858 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.