CID 23105215

4-amino-2-chloro-5-fluorophenol

Structural Information

Molecular Formula
C6H5ClFNO
SMILES
C1=C(C(=CC(=C1Cl)O)F)N
InChI
InChI=1S/C6H5ClFNO/c7-3-1-5(9)4(8)2-6(3)10/h1-2,10H,9H2
InChIKey
ZWUMTSUDDKDGNV-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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

No literature data available for this compound.

Patent stripe

patents stripe