CID 2779911

(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H10FNO2
SMILES
C1C2=C(C(=CC(=C2)F)CN)OCO1
InChI
InChI=1S/C9H10FNO2/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2H,3-5,11H2
InChIKey
JNFVSJNYOFOUDD-UHFFFAOYSA-N
Compound name
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

183.06955 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 135.9
[M+Na]+ 206.058768 144.1
[M-H]- 182.062274 140.1
[M+NH4]+ 201.103373 154.0
[M+K]+ 222.032708 143.8
[M+H-H2O]+ 166.066810 129.1
[M+HCOO]- 228.067751 155.4
[M+CH3COO]- 242.083401 182.8
[M+Na-2H]- 204.044216 144.4
[M]+ 183.06900142 133.9
[M]- 183.07009858 133.9
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