CID 122163229

1-chloro-1,1-difluoro-3-iodopropane

Structural Information

Molecular Formula
C3H4ClF2I
SMILES
C(CI)C(F)(F)Cl
InChI
InChI=1S/C3H4ClF2I/c4-3(5,6)1-2-7/h1-2H2
InChIKey
VNNGBUPQGBCOHK-UHFFFAOYSA-N
Compound name
1-chloro-1,1-difluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.90143 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.90871 125.5
[M+Na]+ 262.89065 128.0
[M-H]- 238.89415 117.1
[M+NH4]+ 257.93525 143.4
[M+K]+ 278.86459 131.4
[M+H-H2O]+ 222.89869 117.7
[M+HCOO]- 284.89963 137.3
[M+CH3COO]- 298.91528 180.0
[M+Na-2H]- 260.87610 120.9
[M]+ 239.90088 122.3
[M]- 239.90198 122.3
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

No patent data available for this compound.