CID 71543346

1430208-73-3

Structural Information

Molecular Formula
C16H16F3N3
SMILES
CC1=CC(=CC(=C1)NC(=NC2=CC=CC=C2C(F)(F)F)N)C
InChI
InChI=1S/C16H16F3N3/c1-10-7-11(2)9-12(8-10)21-15(20)22-14-6-4-3-5-13(14)16(17,18)19/h3-9H,1-2H3,(H3,20,21,22)
InChIKey
DVIJFJSZZNOTLP-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-2-[2-(trifluoromethyl)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

39
Patents

307.12964 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13692 169.7
[M+Na]+ 330.11886 177.1
[M-H]- 306.12236 173.7
[M+NH4]+ 325.16346 184.4
[M+K]+ 346.09280 172.2
[M+H-H2O]+ 290.12690 159.1
[M+HCOO]- 352.12784 191.7
[M+CH3COO]- 366.14349 214.9
[M+Na-2H]- 328.10431 172.7
[M]+ 307.12909 164.0
[M]- 307.13019 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe