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

77
Patents

183.06955 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 135.9
[M+Na]+ 206.05877 144.1
[M-H]- 182.06227 140.1
[M+NH4]+ 201.10337 154.0
[M+K]+ 222.03271 143.8
[M+H-H2O]+ 166.06681 129.1
[M+HCOO]- 228.06775 155.4
[M+CH3COO]- 242.08340 182.8
[M+Na-2H]- 204.04422 144.4
[M]+ 183.06900 133.9
[M]- 183.07010 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