CID 150181

1,1,1,2,2,3,3-heptachloro-3-fluoropropane

Structural Information

Molecular Formula
C3Cl7F
SMILES
C(C(F)(Cl)Cl)(C(Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C3Cl7F/c4-1(5,2(6,7)8)3(9,10)11
InChIKey
UVWLSLSDRXOZKU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptachloro-3-fluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

299.78036 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.787636 168.0
[M+Na]+ 322.769578 173.1
[M-H]- 298.773084 159.0
[M+NH4]+ 317.814183 179.4
[M+K]+ 338.743518 170.0
[M+H-H2O]+ 282.777620 165.6
[M+HCOO]- 344.778561 151.1
[M+CH3COO]- 358.794211 204.5
[M+Na-2H]- 320.755026 166.1
[M]+ 299.77981142 158.5
[M]- 299.78090858 158.5
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