CID 158655

2-chloro-4-fluoro-5-nitrophenol

Structural Information

Molecular Formula
C6H3ClFNO3
SMILES
C1=C(C(=CC(=C1O)Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3ClFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H
InChIKey
NAWVMCKMQMJQMF-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-5-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

367
Patents

190.97855 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98583 129.8
[M+Na]+ 213.96777 140.1
[M-H]- 189.97127 131.6
[M+NH4]+ 209.01237 149.2
[M+K]+ 229.94171 132.6
[M+H-H2O]+ 173.97581 129.9
[M+HCOO]- 235.97675 149.6
[M+CH3COO]- 249.99240 172.7
[M+Na-2H]- 211.95322 136.8
[M]+ 190.97800 129.2
[M]- 190.97910 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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