CID 105439857

1360891-58-2

Structural Information

Molecular Formula
C9H8F2N2
SMILES
C1=C2C(=CC(=C1F)F)NC=C2CN
InChI
InChI=1S/C9H8F2N2/c10-7-1-6-5(3-12)4-13-9(6)2-8(7)11/h1-2,4,13H,3,12H2
InChIKey
UZLOEGZHDFATSW-UHFFFAOYSA-N
Compound name
(5,6-difluoro-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06555 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07283 132.2
[M+Na]+ 205.05477 143.8
[M-H]- 181.05827 132.3
[M+NH4]+ 200.09937 153.3
[M+K]+ 221.02871 138.6
[M+H-H2O]+ 165.06281 124.9
[M+HCOO]- 227.06375 154.5
[M+CH3COO]- 241.07940 145.9
[M+Na-2H]- 203.04022 137.8
[M]+ 182.06500 129.1
[M]- 182.06610 129.1
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.