CID 117276477

2135600-87-0

Structural Information

Molecular Formula
C9H10FNO
SMILES
C1COC2=C1C(=C(C=C2)F)CN
InChI
InChI=1S/C9H10FNO/c10-8-1-2-9-6(3-4-12-9)7(8)5-11/h1-2H,3-5,11H2
InChIKey
ALWPRZGDSFAJQS-UHFFFAOYSA-N
Compound name
(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

167.07465 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 131.3
[M+Na]+ 190.063868 140.3
[M-H]- 166.067374 135.1
[M+NH4]+ 185.108473 153.3
[M+K]+ 206.037808 138.4
[M+H-H2O]+ 150.071910 125.4
[M+HCOO]- 212.072851 153.8
[M+CH3COO]- 226.088501 180.1
[M+Na-2H]- 188.049316 137.6
[M]+ 167.07410142 129.4
[M]- 167.07519858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe