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

35
Patents

161.00436 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.011636 125.8
[M+Na]+ 183.993578 136.9
[M-H]- 159.997084 127.4
[M+NH4]+ 179.038183 147.0
[M+K]+ 199.967518 132.5
[M+H-H2O]+ 144.001620 121.3
[M+HCOO]- 206.002561 144.9
[M+CH3COO]- 220.018211 175.8
[M+Na-2H]- 181.979026 131.2
[M]+ 161.00381142 124.5
[M]- 161.00490858 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