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]+ 236.08815 148.5
[M+Na]+ 258.07009 158.6
[M-H]- 234.07359 153.2
[M+NH4]+ 253.11469 166.4
[M+K]+ 274.04403 154.2
[M+H-H2O]+ 218.07813 139.8
[M+HCOO]- 280.07907 171.7
[M+CH3COO]- 294.09472 195.3
[M+Na-2H]- 256.05554 152.3
[M]+ 235.08032 146.4
[M]- 235.08142 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.