CID 211793

23573-57-1

Structural Information

Molecular Formula
C14H10ClF3N2
SMILES
C1=CC=C(C(=C1)C(=NC2=CC=CC(=C2)C(F)(F)F)N)Cl
InChI
InChI=1S/C14H10ClF3N2/c15-12-7-2-1-6-11(12)13(19)20-10-5-3-4-9(8-10)14(16,17)18/h1-8H,(H2,19,20)
InChIKey
AOVAISDLCUDNQT-UHFFFAOYSA-N
Compound name
2-chloro-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.04846 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05574 162.8
[M+Na]+ 321.03768 171.7
[M-H]- 297.04118 166.6
[M+NH4]+ 316.08228 178.7
[M+K]+ 337.01162 165.2
[M+H-H2O]+ 281.04572 153.4
[M+HCOO]- 343.04666 180.0
[M+CH3COO]- 357.06231 206.9
[M+Na-2H]- 319.02313 166.6
[M]+ 298.04791 159.2
[M]- 298.04901 159.2
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.