CID 14773711

6-chloro-3-fluoro-2-nitrophenol

Structural Information

Molecular Formula
C6H3ClFNO3
SMILES
C1=CC(=C(C(=C1F)[N+](=O)[O-])O)Cl
InChI
InChI=1S/C6H3ClFNO3/c7-3-1-2-4(8)5(6(3)10)9(11)12/h1-2,10H
InChIKey
SSDMDQYIJOCRJK-UHFFFAOYSA-N
Compound name
6-chloro-3-fluoro-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.97855 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe