CID 152012755

3tfetodfb

Structural Information

Molecular Formula
C17H15F5O
SMILES
CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)OCC(F)(F)F)F)F
InChI
InChI=1S/C17H15F5O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(19)15(13)18)23-10-17(20,21)22/h4-9H,2-3,10H2,1H3
InChIKey
UJAXWVIIVOVAML-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-propylphenyl)-4-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.1043 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11158 172.4
[M+Na]+ 353.09352 182.2
[M-H]- 329.09702 173.0
[M+NH4]+ 348.13812 186.8
[M+K]+ 369.06746 176.4
[M+H-H2O]+ 313.10156 160.6
[M+HCOO]- 375.10250 188.8
[M+CH3COO]- 389.11815 211.1
[M+Na-2H]- 351.07897 173.4
[M]+ 330.10375 169.0
[M]- 330.10485 169.0
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

patents stripe