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]+ 240.064226 145.7
[M+Na]+ 262.046168 153.6
[M-H]- 238.049674 143.7
[M+NH4]+ 257.090773 162.7
[M+K]+ 278.020108 151.5
[M+H-H2O]+ 222.054210 135.8
[M+HCOO]- 284.055151 164.7
[M+CH3COO]- 298.070801 194.7
[M+Na-2H]- 260.031616 146.7
[M]+ 239.05640142 141.4
[M]- 239.05749858 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.