CID 6477885

Nsc673825

Structural Information

Molecular Formula
C15H10F3NO2
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C15H10F3NO2/c16-15(17,18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)19(20)21/h1-10H/b2-1+
InChIKey
ARSOIPPXXFUYSQ-OWOJBTEDSA-N
Compound name
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06638 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07366 161.5
[M+Na]+ 316.05560 169.1
[M-H]- 292.05910 164.5
[M+NH4]+ 311.10020 176.0
[M+K]+ 332.02954 159.8
[M+H-H2O]+ 276.06364 156.2
[M+HCOO]- 338.06458 182.1
[M+CH3COO]- 352.08023 195.0
[M+Na-2H]- 314.04105 167.7
[M]+ 293.06583 155.9
[M]- 293.06693 155.9
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.