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 136.4
[M+Na]+ 208.07442 145.8
[M-H]- 184.07792 139.1
[M+NH4]+ 203.11902 156.5
[M+K]+ 224.04836 144.1
[M+H-H2O]+ 168.08246 129.8
[M+HCOO]- 230.08340 160.8
[M+CH3COO]- 244.09905 185.7
[M+Na-2H]- 206.05987 141.2
[M]+ 185.08465 137.5
[M]- 185.08575 137.5
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.