CID 44134265

1108745-30-7

Structural Information

Molecular Formula
C14H11F2N3
SMILES
C1=CC2=C(C=C1CC3=CC(=CC(=C3)F)F)C(=NN2)N
InChI
InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)7-10)3-8-1-2-13-12(6-8)14(17)19-18-13/h1-2,4-7H,3H2,(H3,17,18,19)
InChIKey
CZQCRNRCCQSJHD-UHFFFAOYSA-N
Compound name
5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

259.0921 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09938 154.5
[M+Na]+ 282.08132 166.2
[M-H]- 258.08482 156.5
[M+NH4]+ 277.12592 170.9
[M+K]+ 298.05526 158.8
[M+H-H2O]+ 242.08936 144.8
[M+HCOO]- 304.09030 175.1
[M+CH3COO]- 318.10595 166.5
[M+Na-2H]- 280.06677 159.0
[M]+ 259.09155 151.8
[M]- 259.09265 151.8
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