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]+ 204.08307 139.9
[M+Na]+ 226.06501 148.1
[M-H]- 202.06851 140.8
[M+NH4]+ 221.10961 158.7
[M+K]+ 242.03895 146.4
[M+H-H2O]+ 186.07305 132.1
[M+HCOO]- 248.07399 162.2
[M+CH3COO]- 262.08964 188.1
[M+Na-2H]- 224.05046 143.4
[M]+ 203.07524 138.7
[M]- 203.07634 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.