CID 118835981

1803714-82-0

Structural Information

Molecular Formula
C7H3Cl2F2NO3
SMILES
C1=C(C(=CC(=C1Cl)OC(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H3Cl2F2NO3/c8-3-2-6(15-7(10)11)4(9)1-5(3)12(13)14/h1-2,7H
InChIKey
FYMMUVUVYJQVRR-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(difluoromethoxy)-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.95308 141.8
[M+Na]+ 279.93502 151.8
[M-H]- 255.93852 142.5
[M+NH4]+ 274.97962 159.4
[M+K]+ 295.90896 143.9
[M+H-H2O]+ 239.94306 141.4
[M+HCOO]- 301.94400 155.7
[M+CH3COO]- 315.95965 186.8
[M+Na-2H]- 277.92047 146.2
[M]+ 256.94525 142.9
[M]- 256.94635 142.9
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.