CID 223079

1-chloro-2,4-dinitro-5-fluorobenzene

Structural Information

Molecular Formula
C6H2ClFN2O4
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C6H2ClFN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey
RXVKLMKODREOIW-UHFFFAOYSA-N
Compound name
1-chloro-5-fluoro-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.96872 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97600 139.7
[M+Na]+ 242.95794 148.4
[M-H]- 218.96144 142.3
[M+NH4]+ 238.00254 156.8
[M+K]+ 258.93188 137.8
[M+H-H2O]+ 202.96598 143.6
[M+HCOO]- 264.96692 161.0
[M+CH3COO]- 278.98257 176.3
[M+Na-2H]- 240.94339 147.5
[M]+ 219.96817 138.1
[M]- 219.96927 138.1
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

patents stripe