CID 5475210

Nsc129788

Structural Information

Molecular Formula
C15H11Cl2F3N4
SMILES
C1=CC(=CC=C1/C(=N\N=C(N)N)/C2=CC(=C(C=C2)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H11Cl2F3N4/c16-11-6-3-9(7-12(11)17)13(23-24-14(21)22)8-1-4-10(5-2-8)15(18,19)20/h1-7H,(H4,21,22,24)/b23-13+
InChIKey
ADAFTDLZRBWZOK-YDZHTSKRSA-N
Compound name
2-[(E)-[(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.03128 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03856 182.6
[M+Na]+ 397.02050 191.1
[M-H]- 373.02400 186.6
[M+NH4]+ 392.06510 195.8
[M+K]+ 412.99444 183.9
[M+H-H2O]+ 357.02854 173.3
[M+HCOO]- 419.02948 196.6
[M+CH3COO]- 433.04513 226.4
[M+Na-2H]- 395.00595 183.4
[M]+ 374.03073 179.7
[M]- 374.03183 179.7
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.