CID 4180462

2-(3-fluoro-4-methoxyphenyl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C9H11FN2O
SMILES
COC1=C(C=C(C=C1)CC(=N)N)F
InChI
InChI=1S/C9H11FN2O/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H3,11,12)
InChIKey
SHROYAJKJCXIFM-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-methoxyphenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

182.08554 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.092816 137.0
[M+Na]+ 205.074758 144.6
[M-H]- 181.078264 139.3
[M+NH4]+ 200.119363 156.4
[M+K]+ 221.048698 142.2
[M+H-H2O]+ 165.082800 130.0
[M+HCOO]- 227.083741 161.3
[M+CH3COO]- 241.099391 187.5
[M+Na-2H]- 203.060206 141.4
[M]+ 182.08499142 134.1
[M]- 182.08608858 134.1
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