CID 10283

3-chloro-4-nitrophenol

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=CC(=C(C=C1O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4ClNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChIKey
DKTRZBWXGOPYIX-UHFFFAOYSA-N
Compound name
3-chloro-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

400
Patents

172.98798 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 128.6
[M+Na]+ 195.97720 137.9
[M-H]- 171.98070 131.5
[M+NH4]+ 191.02180 148.5
[M+K]+ 211.95114 130.9
[M+H-H2O]+ 155.98524 129.4
[M+HCOO]- 217.98618 149.5
[M+CH3COO]- 232.00183 168.9
[M+Na-2H]- 193.96265 136.8
[M]+ 172.98743 128.7
[M]- 172.98853 128.7
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