CID 59729075

3-chloro-6-fluoro-1h-indazol-5-amine

Structural Information

Molecular Formula
C7H5ClFN3
SMILES
C1=C(C(=CC2=NNC(=C21)Cl)F)N
InChI
InChI=1S/C7H5ClFN3/c8-7-3-1-5(10)4(9)2-6(3)11-12-7/h1-2H,10H2,(H,11,12)
InChIKey
KKDHJLHKZOYJOL-UHFFFAOYSA-N
Compound name
3-chloro-6-fluoro-2H-indazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.01561 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02289 132.0
[M+Na]+ 208.00483 145.1
[M-H]- 184.00833 131.9
[M+NH4]+ 203.04943 152.4
[M+K]+ 223.97877 138.9
[M+H-H2O]+ 168.01287 125.4
[M+HCOO]- 230.01381 149.9
[M+CH3COO]- 244.02946 145.8
[M+Na-2H]- 205.99028 138.5
[M]+ 185.01506 131.7
[M]- 185.01616 131.7
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

patents stripe