CID 80428

Tetrachlorocyclopropene

Structural Information

Molecular Formula
C3Cl4
SMILES
C1(=C(C1(Cl)Cl)Cl)Cl
InChI
InChI=1S/C3Cl4/c4-1-2(5)3(1,6)7
InChIKey
BLZOHTXDDOAASQ-UHFFFAOYSA-N
Compound name
1,2,3,3-tetrachlorocyclopropene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

365
Patents

175.87541 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.88269 118.9
[M+Na]+ 198.86463 131.1
[M-H]- 174.86813 120.5
[M+NH4]+ 193.90923 136.6
[M+K]+ 214.83857 126.6
[M+H-H2O]+ 158.87267 117.7
[M+HCOO]- 220.87361 124.5
[M+CH3COO]- 234.88926 183.2
[M+Na-2H]- 196.85008 125.0
[M]+ 175.87486 122.7
[M]- 175.87596 122.7
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