CID 62721694

(4,4,4-trifluoro-2-nitrobut-2-en-1-yl)benzene

Structural Information

Molecular Formula
C10H8F3NO2
SMILES
C1=CC=C(C=C1)C/C(=C/C(F)(F)F)/[N+](=O)[O-]
InChI
InChI=1S/C10H8F3NO2/c11-10(12,13)7-9(14(15)16)6-8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7-
InChIKey
FAJNVDOPPGHBBH-CLFYSBASSA-N
Compound name
[(Z)-4,4,4-trifluoro-2-nitrobut-2-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05072 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05800 143.0
[M+Na]+ 254.03994 152.2
[M+NH4]+ 249.08454 148.3
[M+K]+ 270.01388 149.8
[M-H]- 230.04344 140.9
[M+Na-2H]- 252.02539 147.3
[M]+ 231.05017 143.3
[M]- 231.05127 143.3
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.