CID 80146791

2-chloro-1-(2-fluoro-4-nitrophenyl)ethan-1-one

Structural Information

Molecular Formula
C8H5ClFNO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)CCl
InChI
InChI=1S/C8H5ClFNO3/c9-4-8(12)6-2-1-5(11(13)14)3-7(6)10/h1-3H,4H2
InChIKey
ANVDDLQWGQOGOR-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-fluoro-4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.9942 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00148 138.6
[M+Na]+ 239.98342 147.6
[M-H]- 215.98692 141.2
[M+NH4]+ 235.02802 157.3
[M+K]+ 255.95736 140.4
[M+H-H2O]+ 199.99146 137.9
[M+HCOO]- 261.99240 158.5
[M+CH3COO]- 276.00805 180.2
[M+Na-2H]- 237.96887 144.4
[M]+ 216.99365 138.9
[M]- 216.99475 138.9
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.