CID 22108

2,5-dichloro-4-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

206.949 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe