CID 6980

4-chloro-2-nitrophenol

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=CC(=C(C=C1Cl)[N+](=O)[O-])O
InChI
InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey
NWSIFTLPLKCTSX-UHFFFAOYSA-N
Compound name
4-chloro-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

708
Patents

172.98798 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 127.4
[M+Na]+ 195.97720 142.1
[M+NH4]+ 191.02180 136.3
[M+K]+ 211.95114 138.6
[M-H]- 171.98070 130.5
[M+Na-2H]- 193.96265 134.5
[M]+ 172.98743 130.6
[M]- 172.98853 130.6
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