CID 5743705

3-(trichlorovinyl)anilinium chloride

Structural Information

Molecular Formula
C8H6Cl3N
SMILES
C1=CC(=CC(=C1)N)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl3N/c9-7(8(10)11)5-2-1-3-6(12)4-5/h1-4H,12H2
InChIKey
FCLZQAKBHZCBDZ-UHFFFAOYSA-N
Compound name
3-(1,2,2-trichloroethenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

220.95659 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96387 141.9
[M+Na]+ 243.94581 150.7
[M-H]- 219.94931 143.3
[M+NH4]+ 238.99041 160.9
[M+K]+ 259.91975 144.4
[M+H-H2O]+ 203.95385 139.0
[M+HCOO]- 265.95479 150.3
[M+CH3COO]- 279.97044 187.9
[M+Na-2H]- 241.93126 144.3
[M]+ 220.95604 141.4
[M]- 220.95714 141.4
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