CID 2747582

2-(2-chloro-4-fluoro-phenyl)-n-hydroxy-acetamidine

Structural Information

Molecular Formula
C8H8ClFN2O
SMILES
C1=CC(=C(C=C1F)Cl)CC(=NO)N
InChI
InChI=1S/C8H8ClFN2O/c9-7-4-6(10)2-1-5(7)3-8(11)12-13/h1-2,4,13H,3H2,(H2,11,12)
InChIKey
ZRXMHYFYQBAPGT-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenyl)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

202.03091 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03819 139.1
[M+Na]+ 225.02013 148.0
[M-H]- 201.02363 141.3
[M+NH4]+ 220.06473 158.5
[M+K]+ 240.99407 143.8
[M+H-H2O]+ 185.02817 133.2
[M+HCOO]- 247.02911 159.2
[M+CH3COO]- 261.04476 187.6
[M+Na-2H]- 223.00558 143.5
[M]+ 202.03036 137.8
[M]- 202.03146 137.8
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