CID 67915

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

299.78036 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.78764 168.1
[M+Na]+ 322.76958 173.3
[M-H]- 298.77308 159.2
[M+NH4]+ 317.81418 179.6
[M+K]+ 338.74352 170.2
[M+H-H2O]+ 282.77762 165.7
[M+HCOO]- 344.77856 151.3
[M+CH3COO]- 358.79421 204.0
[M+Na-2H]- 320.75503 166.3
[M]+ 299.77981 158.6
[M]- 299.78091 158.6
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