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]+ 232.057996 144.1
[M+Na]+ 254.039938 150.8
[M-H]- 230.043444 143.7
[M+NH4]+ 249.084543 161.0
[M+K]+ 270.013878 143.9
[M+H-H2O]+ 214.047980 140.5
[M+HCOO]- 276.048921 164.1
[M+CH3COO]- 290.064571 182.6
[M+Na-2H]- 252.025386 150.6
[M]+ 231.05017142 137.8
[M]- 231.05126858 137.8
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.