CID 28972714

4-(2,4-dichlorophenoxy)-3-fluoroaniline

Structural Information

Molecular Formula
C12H8Cl2FNO
SMILES
C1=CC(=C(C=C1N)F)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2FNO/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(16)6-10(12)15/h1-6H,16H2
InChIKey
ATSXMWISGAYPBK-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenoxy)-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9967 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00398 153.3
[M+Na]+ 293.98592 164.9
[M-H]- 269.98942 158.3
[M+NH4]+ 289.03052 171.0
[M+K]+ 309.95986 158.0
[M+H-H2O]+ 253.99396 147.2
[M+HCOO]- 315.99490 168.2
[M+CH3COO]- 330.01055 197.8
[M+Na-2H]- 291.97137 157.0
[M]+ 270.99615 155.5
[M]- 270.99725 155.5
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.