CID 16772364

1240529-51-4

Structural Information

Molecular Formula
C14H14FNO
SMILES
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CN
InChI
InChI=1S/C14H14FNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
InChIKey
DLQRSGVKMVGZLB-UHFFFAOYSA-N
Compound name
[4-[(3-fluorophenyl)methoxy]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

50
Patents

231.10594 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11322 150.2
[M+Na]+ 254.09516 157.9
[M-H]- 230.09866 155.3
[M+NH4]+ 249.13976 167.6
[M+K]+ 270.06910 153.6
[M+H-H2O]+ 214.10320 141.8
[M+HCOO]- 276.10414 174.2
[M+CH3COO]- 290.11979 193.2
[M+Na-2H]- 252.08061 155.6
[M]+ 231.10539 148.7
[M]- 231.10649 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe