CID 11840988

5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine

Structural Information

Molecular Formula
C10H7F3N6
SMILES
C1=CC(=CC(=C1)NN=C2C(=N)N=NC2=N)C(F)(F)F
InChI
InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H
InChIKey
UWZUKULUSUBUOU-UHFFFAOYSA-N
Compound name
N-[(3,5-diiminopyrazol-4-ylidene)amino]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

268.06842 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07570 151.9
[M+Na]+ 291.05764 161.4
[M-H]- 267.06114 154.8
[M+NH4]+ 286.10224 167.1
[M+K]+ 307.03158 156.3
[M+H-H2O]+ 251.06568 140.5
[M+HCOO]- 313.06662 177.1
[M+CH3COO]- 327.08227 206.0
[M+Na-2H]- 289.04309 159.0
[M]+ 268.06787 145.6
[M]- 268.06897 145.6
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