CID 18983986

5-chloro-1,2-difluoro-3-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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

No literature data available for this compound.

Patent stripe

patents stripe