CID 55257262

2089255-76-3

Structural Information

Molecular Formula
C13H10Cl2FNO
SMILES
C1=CC(=C(C=C1OC2=C(C=CC(=C2)Cl)CN)Cl)F
InChI
InChI=1S/C13H10Cl2FNO/c14-9-2-1-8(7-17)13(5-9)18-10-3-4-12(16)11(15)6-10/h1-6H,7,17H2
InChIKey
NOWLHDKBZHCXTD-UHFFFAOYSA-N
Compound name
[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.01236 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01964 158.0
[M+Na]+ 308.00158 169.1
[M-H]- 284.00508 162.8
[M+NH4]+ 303.04618 175.1
[M+K]+ 323.97552 162.0
[M+H-H2O]+ 268.00962 151.6
[M+HCOO]- 330.01056 172.5
[M+CH3COO]- 344.02621 200.7
[M+Na-2H]- 305.98703 161.1
[M]+ 285.01181 160.5
[M]- 285.01291 160.5
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.