CID 855073

198879-38-8

Structural Information

Molecular Formula

C₁₃H₁₂FNO

SMILES

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)F)O

InChI

InChI=1S/C13H12FNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2

InChIKey

JKTBLHUOEYLYNG-UHFFFAOYSA-N

Compound name

2-[(4-fluoroanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 217.09029 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.09757	145.1
[M+Na]+	240.07951	152.8
[M-H]-	216.08301	149.5
[M+NH4]+	235.12411	162.7
[M+K]+	256.05345	148.2
[M+H-H2O]+	200.08755	137.2
[M+HCOO]-	262.08849	168.6
[M+CH3COO]-	276.10414	188.3
[M+Na-2H]-	238.06496	151.6
[M]+	217.08974	142.4
[M]-	217.09084	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe