CID 211746

N-(alpha,alpha,alpha-trifluoro-m-tolyl)benzamidine

Structural Information

Molecular Formula
C14H11F3N2
SMILES
C1=CC=C(C=C1)C(=NC2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C14H11F3N2/c15-14(16,17)11-7-4-8-12(9-11)19-13(18)10-5-2-1-3-6-10/h1-9H,(H2,18,19)
InChIKey
OIRRVWDRLICUAY-UHFFFAOYSA-N
Compound name
N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.08743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09471 156.0
[M+Na]+ 287.07665 163.1
[M-H]- 263.08015 159.6
[M+NH4]+ 282.12125 172.1
[M+K]+ 303.05059 158.5
[M+H-H2O]+ 247.08469 145.7
[M+HCOO]- 309.08563 177.7
[M+CH3COO]- 323.10128 202.1
[M+Na-2H]- 285.06210 161.1
[M]+ 264.08688 149.6
[M]- 264.08798 149.6
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