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]+ 300.787636 168.1
[M+Na]+ 322.769578 173.3
[M-H]- 298.773084 159.2
[M+NH4]+ 317.814183 179.6
[M+K]+ 338.743518 170.2
[M+H-H2O]+ 282.777620 165.7
[M+HCOO]- 344.778561 151.3
[M+CH3COO]- 358.794211 204.0
[M+Na-2H]- 320.755026 166.3
[M]+ 299.77981142 158.6
[M]- 299.78090858 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