CID 43313642

1096309-52-2

Structural Information

Molecular Formula
C15H13Cl2FO
SMILES
CCC1=C(C=CC(=C1)OC2=C(C=C(C=C2)F)CCl)Cl
InChI
InChI=1S/C15H13Cl2FO/c1-2-10-8-13(4-5-14(10)17)19-15-6-3-12(18)7-11(15)9-16/h3-8H,2,9H2,1H3
InChIKey
FVCYKDMSKIIOKV-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-(chloromethyl)-4-fluorophenoxy]-2-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03275 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04003 161.2
[M+Na]+ 321.02197 172.4
[M-H]- 297.02547 166.3
[M+NH4]+ 316.06657 178.5
[M+K]+ 336.99591 165.3
[M+H-H2O]+ 281.03001 154.7
[M+HCOO]- 343.03095 174.7
[M+CH3COO]- 357.04660 202.4
[M+Na-2H]- 319.00742 164.1
[M]+ 298.03220 166.0
[M]- 298.03330 166.0
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.