CID 3353912

2-{[(3-fluoro-4-methylphenyl)amino]methyl}phenol

Structural Information

Molecular Formula
C14H14FNO
SMILES
CC1=C(C=C(C=C1)NCC2=CC=CC=C2O)F
InChI
InChI=1S/C14H14FNO/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-8,16-17H,9H2,1H3
InChIKey
PRGHWMOPZBJNLU-UHFFFAOYSA-N
Compound name
2-[(3-fluoro-4-methylanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

231.10594 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11322 149.8
[M+Na]+ 254.09516 158.0
[M-H]- 230.09866 154.4
[M+NH4]+ 249.13976 167.2
[M+K]+ 270.06910 153.3
[M+H-H2O]+ 214.10320 141.9
[M+HCOO]- 276.10414 172.9
[M+CH3COO]- 290.11979 192.5
[M+Na-2H]- 252.08061 155.1
[M]+ 231.10539 147.9
[M]- 231.10649 147.9
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

patents stripe