CID 130140952

1-(chloromethyl)-4,5-difluoro-2-nitrobenzene

Structural Information

Molecular Formula
C7H4ClF2NO2
SMILES
C1=C(C(=CC(=C1F)F)[N+](=O)[O-])CCl
InChI
InChI=1S/C7H4ClF2NO2/c8-3-4-1-5(9)6(10)2-7(4)11(12)13/h1-2H,3H2
InChIKey
NZTNNXUNDDNFIS-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4,5-difluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.98987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.997146 133.8
[M+Na]+ 229.979088 144.2
[M-H]- 205.982594 135.4
[M+NH4]+ 225.023693 153.3
[M+K]+ 245.953028 136.5
[M+H-H2O]+ 189.987130 132.6
[M+HCOO]- 251.988071 153.5
[M+CH3COO]- 266.003721 179.4
[M+Na-2H]- 227.964536 140.0
[M]+ 206.98932142 132.9
[M]- 206.99041858 132.9
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.