CID 3036797

Trichlorocyclopentadiene

Structural Information

Molecular Formula
C5H3Cl3
SMILES
C1C=C(C(=C1Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl3/c6-3-1-2-4(7)5(3)8/h1H,2H2
InChIKey
XNDOHPGHNCJWSF-UHFFFAOYSA-N
Compound name
1,2,3-trichlorocyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

167.93004 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.93732 129.3
[M+Na]+ 190.91926 141.0
[M-H]- 166.92276 131.5
[M+NH4]+ 185.96386 152.8
[M+K]+ 206.89320 135.5
[M+H-H2O]+ 150.92730 126.8
[M+HCOO]- 212.92824 140.1
[M+CH3COO]- 226.94389 176.6
[M+Na-2H]- 188.90471 133.2
[M]+ 167.92949 131.4
[M]- 167.93059 131.4
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