CID 16227553

2060021-70-5

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
C1CC1C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)8-5-7(3-4-9(8)15)16-10(17)6-1-2-6/h3-6H,1-2,15H2,(H,16,17)
InChIKey
KBEJBXIBRLQHSK-UHFFFAOYSA-N
Compound name
N-[4-amino-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 141.0
[M+Na]+ 267.07157 150.1
[M-H]- 243.07507 144.7
[M+NH4]+ 262.11617 153.2
[M+K]+ 283.04551 145.5
[M+H-H2O]+ 227.07961 132.2
[M+HCOO]- 289.08055 161.8
[M+CH3COO]- 303.09620 199.2
[M+Na-2H]- 265.05702 145.3
[M]+ 244.08180 137.5
[M]- 244.08290 137.5
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

No patent data available for this compound.