CID 72525608

2pfpdfv

Structural Information

Molecular Formula
C16H13F3
SMILES
CCC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)F)F)F
InChI
InChI=1S/C16H13F3/c1-2-11-3-5-12(6-4-11)15(18)16(19)13-7-9-14(17)10-8-13/h3-10H,2H2,1H3
InChIKey
RUDIWDZMOXGGBJ-UHFFFAOYSA-N
Compound name
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.09692 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10420 156.5
[M+Na]+ 285.08614 164.2
[M-H]- 261.08964 159.2
[M+NH4]+ 280.13074 173.0
[M+K]+ 301.06008 158.7
[M+H-H2O]+ 245.09418 146.6
[M+HCOO]- 307.09512 175.2
[M+CH3COO]- 321.11077 198.7
[M+Na-2H]- 283.07159 157.8
[M]+ 262.09637 151.7
[M]- 262.09747 151.7
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