CID 9570534

34367-34-5

Structural Information

Molecular Formula
C15H12ClF3N4
SMILES
C1=CC(=CC=C1/C(=N\N=C(N)N)/C2=CC=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C15H12ClF3N4/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
AJJOTBLQSCCRON-LPYMAVHISA-N
Compound name
2-[(E)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.07025 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07753 175.2
[M+Na]+ 363.05947 182.4
[M-H]- 339.06297 179.6
[M+NH4]+ 358.10407 189.0
[M+K]+ 379.03341 176.4
[M+H-H2O]+ 323.06751 164.8
[M+HCOO]- 385.06845 194.2
[M+CH3COO]- 399.08410 221.3
[M+Na-2H]- 361.04492 177.5
[M]+ 340.06970 170.2
[M]- 340.07080 170.2
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.