CID 33786621

2-[4-(trifluoromethyl)phenoxy]ethanimidamide hydrochloride

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
C1=CC(=CC=C1C(F)(F)F)OCC(=N)N
InChI
InChI=1S/C9H9F3N2O/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H3,13,14)
InChIKey
WPMASHCKZZAIEQ-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenoxy]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.0667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 142.4
[M+Na]+ 241.05592 149.6
[M-H]- 217.05942 141.7
[M+NH4]+ 236.10052 159.9
[M+K]+ 257.02986 146.7
[M+H-H2O]+ 201.06396 133.8
[M+HCOO]- 263.06490 163.0
[M+CH3COO]- 277.08055 191.5
[M+Na-2H]- 239.04137 147.0
[M]+ 218.06615 136.0
[M]- 218.06725 136.0
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