CID 15751483

1-chloro-2,5-difluoro-4-nitrobenzene

Structural Information

Molecular Formula
C6H2ClF2NO2
SMILES
C1=C(C(=CC(=C1F)Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C6H2ClF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey
HBGYPLNIBDKWIK-UHFFFAOYSA-N
Compound name
1-chloro-2,5-difluoro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

192.97421 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.981486 128.7
[M+Na]+ 215.963428 139.6
[M-H]- 191.966934 130.5
[M+NH4]+ 211.008033 148.8
[M+K]+ 231.937368 132.2
[M+H-H2O]+ 175.971470 127.8
[M+HCOO]- 237.972411 148.8
[M+CH3COO]- 251.988061 176.3
[M+Na-2H]- 213.948876 135.6
[M]+ 192.97366142 127.5
[M]- 192.97475858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe