CID 38248

4,5-dichloro-2-nitrophenol

Structural Information

Molecular Formula
C6H3Cl2NO3
SMILES
C1=C(C(=CC(=C1Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C6H3Cl2NO3/c7-3-1-5(9(11)12)6(10)2-4(3)8/h1-2,10H
InChIKey
CEFFUJIHZMPDID-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

206.949 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.95628 134.9
[M+Na]+ 229.93822 145.1
[M-H]- 205.94172 137.2
[M+NH4]+ 224.98282 154.0
[M+K]+ 245.91216 136.9
[M+H-H2O]+ 189.94626 136.9
[M+HCOO]- 251.94720 150.6
[M+CH3COO]- 265.96285 175.0
[M+Na-2H]- 227.92367 141.4
[M]+ 206.94845 136.4
[M]- 206.94955 136.4
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