CID 62686587

1-(2,2-difluoroethyl)-1h-indazol-3-amine

Structural Information

Molecular Formula
C9H9F2N3
SMILES
C1=CC=C2C(=C1)C(=NN2CC(F)F)N
InChI
InChI=1S/C9H9F2N3/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13-14/h1-4,8H,5H2,(H2,12,13)
InChIKey
FBNGPDJTZXOKDD-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.07645 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08373 137.0
[M+Na]+ 220.06567 147.7
[M-H]- 196.06917 136.7
[M+NH4]+ 215.11027 156.4
[M+K]+ 236.03961 143.8
[M+H-H2O]+ 180.07371 128.1
[M+HCOO]- 242.07465 158.4
[M+CH3COO]- 256.09030 186.5
[M+Na-2H]- 218.05112 142.5
[M]+ 197.07590 135.3
[M]- 197.07700 135.3
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.