CID 45091347

2253641-14-2

Structural Information

Molecular Formula
C9H12FNO2
SMILES
COC1=C(C=C(C(=C1)CN)F)OC
InChI
InChI=1S/C9H12FNO2/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4H,5,11H2,1-2H3
InChIKey
UGJBQIFOIYLMLV-UHFFFAOYSA-N
Compound name
(2-fluoro-4,5-dimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0852 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09248 137.8
[M+Na]+ 208.07442 149.3
[M+NH4]+ 203.11902 145.3
[M+K]+ 224.04836 143.6
[M-H]- 184.07792 138.8
[M+Na-2H]- 206.05987 143.3
[M]+ 185.08465 139.5
[M]- 185.08575 139.5
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

No patent data available for this compound.