CID 158654

5-amino-2-chloro-4-fluorophenol

Structural Information

Molecular Formula
C6H5ClFNO
SMILES
C1=C(C(=CC(=C1O)Cl)F)N
InChI
InChI=1S/C6H5ClFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2
InChIKey
AFZLCOLNTRPSIF-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

161.00436 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01164 125.8
[M+Na]+ 183.99358 136.9
[M-H]- 159.99708 127.4
[M+NH4]+ 179.03818 147.0
[M+K]+ 199.96752 132.5
[M+H-H2O]+ 144.00162 121.3
[M+HCOO]- 206.00256 144.9
[M+CH3COO]- 220.01821 175.8
[M+Na-2H]- 181.97903 131.2
[M]+ 161.00381 124.5
[M]- 161.00491 124.5
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