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]+ 207.99715 133.8
[M+Na]+ 229.97909 144.2
[M-H]- 205.98259 135.4
[M+NH4]+ 225.02369 153.3
[M+K]+ 245.95303 136.5
[M+H-H2O]+ 189.98713 132.6
[M+HCOO]- 251.98807 153.5
[M+CH3COO]- 266.00372 179.4
[M+Na-2H]- 227.96454 140.0
[M]+ 206.98932 132.9
[M]- 206.99042 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.