CID 68515672

1061651-15-7

Structural Information

Molecular Formula
C9H12FNO
SMILES
CCOC1=CC(=C(C=C1)CN)F
InChI
InChI=1S/C9H12FNO/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5H,2,6,11H2,1H3
InChIKey
QCNMLOWAAMVEMN-UHFFFAOYSA-N
Compound name
(4-ethoxy-2-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.09029 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.097566 133.6
[M+Na]+ 192.079508 142.1
[M-H]- 168.083014 135.9
[M+NH4]+ 187.124113 154.1
[M+K]+ 208.053448 139.9
[M+H-H2O]+ 152.087550 127.0
[M+HCOO]- 214.088491 157.8
[M+CH3COO]- 228.104141 182.5
[M+Na-2H]- 190.064956 139.1
[M]+ 169.08974142 132.8
[M]- 169.09083858 132.8
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