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 144.1
[M+Na]+ 254.03994 150.8
[M-H]- 230.04344 143.7
[M+NH4]+ 249.08454 161.0
[M+K]+ 270.01388 143.9
[M+H-H2O]+ 214.04798 140.5
[M+HCOO]- 276.04892 164.1
[M+CH3COO]- 290.06457 182.6
[M+Na-2H]- 252.02539 150.6
[M]+ 231.05017 137.8
[M]- 231.05127 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.