CID 5475188

Guanidine, ((p-fluoro-alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzylidene)amino)-

Structural Information

Molecular Formula
C15H12F4N4
SMILES
C1=CC(=CC=C1/C(=N\N=C(N)N)/C2=CC=C(C=C2)F)C(F)(F)F
InChI
InChI=1S/C15H12F4N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23)/b22-13+
InChIKey
FBGUSGCVXYLMEC-LPYMAVHISA-N
Compound name
2-[(E)-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

324.09982 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10710 170.3
[M+Na]+ 347.08904 176.8
[M-H]- 323.09254 173.5
[M+NH4]+ 342.13364 183.7
[M+K]+ 363.06298 172.2
[M+H-H2O]+ 307.09708 158.1
[M+HCOO]- 369.09802 192.6
[M+CH3COO]- 383.11367 220.5
[M+Na-2H]- 345.07449 172.6
[M]+ 324.09927 161.6
[M]- 324.10037 161.6
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

No patent data available for this compound.