CID 108469

1,1,1-trichloro-3-phenyl-2-propene

Structural Information

Molecular Formula
C9H7Cl3
SMILES
C1=CC=C(C=C1)C=CC(Cl)(Cl)Cl
InChI
InChI=1S/C9H7Cl3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
NUDSHVLUIKPZLF-UHFFFAOYSA-N
Compound name
3,3,3-trichloroprop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

219.96133 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.968606 143.1
[M+Na]+ 242.950548 152.4
[M-H]- 218.954054 144.8
[M+NH4]+ 237.995153 162.7
[M+K]+ 258.924488 145.8
[M+H-H2O]+ 202.958590 139.9
[M+HCOO]- 264.959531 151.0
[M+CH3COO]- 278.975181 184.0
[M+Na-2H]- 240.935996 149.2
[M]+ 219.96078142 144.6
[M]- 219.96187858 144.6
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