CID 43503459

[2,4-bis(difluoromethoxy)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H9F4NO2
SMILES
C1=CC(=C(C=C1OC(F)F)OC(F)F)CN
InChI
InChI=1S/C9H9F4NO2/c10-8(11)15-6-2-1-5(4-14)7(3-6)16-9(12)13/h1-3,8-9H,4,14H2
InChIKey
UDENCIYMRAJLEI-UHFFFAOYSA-N
Compound name
[2,4-bis(difluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.05695 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06423 145.7
[M+Na]+ 262.04617 153.6
[M-H]- 238.04967 143.7
[M+NH4]+ 257.09077 162.7
[M+K]+ 278.02011 151.5
[M+H-H2O]+ 222.05421 135.8
[M+HCOO]- 284.05515 164.7
[M+CH3COO]- 298.07080 194.7
[M+Na-2H]- 260.03162 146.7
[M]+ 239.05640 141.4
[M]- 239.05750 141.4
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.