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

260
Patents

192.97421 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.98149 128.7
[M+Na]+ 215.96343 139.6
[M-H]- 191.96693 130.5
[M+NH4]+ 211.00803 148.8
[M+K]+ 231.93737 132.2
[M+H-H2O]+ 175.97147 127.8
[M+HCOO]- 237.97241 148.8
[M+CH3COO]- 251.98806 176.3
[M+Na-2H]- 213.94888 135.6
[M]+ 192.97366 127.5
[M]- 192.97476 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