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]+ 236.08815 148.0
[M+Na]+ 258.07009 156.8
[M-H]- 234.07359 151.4
[M+NH4]+ 253.11469 165.1
[M+K]+ 274.04403 151.7
[M+H-H2O]+ 218.07813 139.3
[M+HCOO]- 280.07907 170.4
[M+CH3COO]- 294.09472 192.2
[M+Na-2H]- 256.05554 153.2
[M]+ 235.08032 144.6
[M]- 235.08142 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.