CID 54595145

[2-(difluoromethoxy)-4-methoxyphenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H11F2NO2
SMILES
COC1=CC(=C(C=C1)CN)OC(F)F
InChI
InChI=1S/C9H11F2NO2/c1-13-7-3-2-6(5-12)8(4-7)14-9(10)11/h2-4,9H,5,12H2,1H3
InChIKey
UJXXXXSYTLMOFI-UHFFFAOYSA-N
Compound name
[2-(difluoromethoxy)-4-methoxyphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.07579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.083066 139.9
[M+Na]+ 226.065008 148.1
[M-H]- 202.068514 140.8
[M+NH4]+ 221.109613 158.7
[M+K]+ 242.038948 146.4
[M+H-H2O]+ 186.073050 132.1
[M+HCOO]- 248.073991 162.2
[M+CH3COO]- 262.089641 188.1
[M+Na-2H]- 224.050456 143.4
[M]+ 203.07524142 138.7
[M]- 203.07633858 138.7
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

No patent data available for this compound.