CID 13131

1,1,1,2-tetrachloropropane

Structural Information

Molecular Formula
C3H4Cl4
SMILES
CC(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C3H4Cl4/c1-2(4)3(5,6)7/h2H,1H3
InChIKey
FEKGWIHDBVDVSM-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1118
Patents

179.90671 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.91399 130.6
[M+Na]+ 202.89593 139.5
[M-H]- 178.89943 128.2
[M+NH4]+ 197.94053 150.9
[M+K]+ 218.86987 135.1
[M+H-H2O]+ 162.90397 129.9
[M+HCOO]- 224.90491 132.1
[M+CH3COO]- 238.92056 180.5
[M+Na-2H]- 200.88138 134.6
[M]+ 179.90616 130.5
[M]- 179.90726 130.5
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