CID 736860

1-(4-fluorophenyl)-n-methylmethanamine

Structural Information

Molecular Formula
C8H10FN
SMILES
CNCC1=CC=C(C=C1)F
InChI
InChI=1S/C8H10FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
SZJIQLSCDIEJFC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1077
Patents

139.07973 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 125.3
[M+Na]+ 162.06895 133.3
[M-H]- 138.07245 128.0
[M+NH4]+ 157.11355 147.0
[M+K]+ 178.04289 131.2
[M+H-H2O]+ 122.07699 119.0
[M+HCOO]- 184.07793 150.2
[M+CH3COO]- 198.09358 177.0
[M+Na-2H]- 160.05440 133.2
[M]+ 139.07918 123.4
[M]- 139.08028 123.4
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