CID 3467934

2-{[(3,4-difluorophenyl)amino]methyl}phenol

Structural Information

Molecular Formula
C13H11F2NO
SMILES
C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)F)F)O
InChI
InChI=1S/C13H11F2NO/c14-11-6-5-10(7-12(11)15)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChIKey
GWTNYXVIYGNWAP-UHFFFAOYSA-N
Compound name
2-[(3,4-difluoroanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08087 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.088146 148.0
[M+Na]+ 258.070088 156.8
[M-H]- 234.073594 151.4
[M+NH4]+ 253.114693 165.1
[M+K]+ 274.044028 151.7
[M+H-H2O]+ 218.078130 139.3
[M+HCOO]- 280.079071 170.4
[M+CH3COO]- 294.094721 192.2
[M+Na-2H]- 256.055536 153.2
[M]+ 235.08032142 144.6
[M]- 235.08141858 144.6
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.