CID 121234747

1858255-02-3

Structural Information

Molecular Formula
C7H3Cl2F2NO2
SMILES
C1=CC(=C(C=C1C(F)(F)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H3Cl2F2NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey
YFYREMOEXRTIDO-UHFFFAOYSA-N
Compound name
1-chloro-4-[chloro(difluoro)methyl]-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.9509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95818 140.4
[M+Na]+ 263.94012 150.3
[M-H]- 239.94362 141.1
[M+NH4]+ 258.98472 158.6
[M+K]+ 279.91406 141.8
[M+H-H2O]+ 223.94816 140.2
[M+HCOO]- 285.94910 153.4
[M+CH3COO]- 299.96475 183.3
[M+Na-2H]- 261.92557 147.4
[M]+ 240.95035 139.8
[M]- 240.95145 139.8
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.