CID 29778853

1036435-64-9

Structural Information

Molecular Formula
C14H12ClFO
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)CCl)F
InChI
InChI=1S/C14H12ClFO/c15-9-11-5-7-13(8-6-11)17-10-12-3-1-2-4-14(12)16/h1-8H,9-10H2
InChIKey
HSVUZTDZPJRKDH-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-[(2-fluorophenyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05608 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06336 151.6
[M+Na]+ 273.04530 161.0
[M-H]- 249.04880 157.0
[M+NH4]+ 268.08990 169.8
[M+K]+ 289.01924 155.3
[M+H-H2O]+ 233.05334 144.2
[M+HCOO]- 295.05428 170.6
[M+CH3COO]- 309.06993 192.8
[M+Na-2H]- 271.03075 157.2
[M]+ 250.05553 154.0
[M]- 250.05663 154.0
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.