CID 115507258

2,4-difluoro-6-(2-methylphenoxy)aniline hydrochloride

Structural Information

Molecular Formula
C13H11F2NO
SMILES
CC1=CC=CC=C1OC2=C(C(=CC(=C2)F)F)N
InChI
InChI=1S/C13H11F2NO/c1-8-4-2-3-5-11(8)17-12-7-9(14)6-10(15)13(12)16/h2-7H,16H2,1H3
InChIKey
ZWNULFNDNQEUQC-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-(2-methylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08087 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.088146 148.5
[M+Na]+ 258.070088 158.6
[M-H]- 234.073594 153.2
[M+NH4]+ 253.114693 166.4
[M+K]+ 274.044028 154.2
[M+H-H2O]+ 218.078130 139.8
[M+HCOO]- 280.079071 171.7
[M+CH3COO]- 294.094721 195.3
[M+Na-2H]- 256.055536 152.3
[M]+ 235.08032142 146.4
[M]- 235.08141858 146.4
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.