CID 3073481

149338-13-6

Structural Information

Molecular Formula
C15H9F3N2O2S
SMILES
C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)23-14(13)20(21)22/h1-8,19H
InChIKey
LTRYYTDSBIIOBM-UHFFFAOYSA-N
Compound name
2-nitro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0337 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04098 160.5
[M+Na]+ 361.02292 171.4
[M+NH4]+ 356.06752 167.2
[M+K]+ 376.99686 167.7
[M-H]- 337.02642 162.1
[M+Na-2H]- 359.00837 167.2
[M]+ 338.03315 162.7
[M]- 338.03425 162.7
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.