CID 86775443

2,4-dichloro-3-fluoro-1,5-dinitrobenzene

Structural Information

Molecular Formula
C6HCl2FN2O4
SMILES
C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6HCl2FN2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H
InChIKey
GZWPJSAGYIDQDN-UHFFFAOYSA-N
Compound name
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.92973 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93701 146.9
[M+Na]+ 276.91895 155.9
[M-H]- 252.92245 148.6
[M+NH4]+ 271.96355 163.1
[M+K]+ 292.89289 144.6
[M+H-H2O]+ 236.92699 151.9
[M+HCOO]- 298.92793 163.0
[M+CH3COO]- 312.94358 182.1
[M+Na-2H]- 274.90440 153.0
[M]+ 253.92918 146.7
[M]- 253.93028 146.7
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.