CID 54524552

2,2-difluoro-1-iodopropane

Structural Information

Molecular Formula
C3H5F2I
SMILES
CC(CI)(F)F
InChI
InChI=1S/C3H5F2I/c1-3(4,5)2-6/h2H2,1H3
InChIKey
AQKRYWCLIFTFMY-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

205.9404 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94768 122.3
[M+Na]+ 228.92962 124.1
[M-H]- 204.93312 114.1
[M+NH4]+ 223.97422 140.8
[M+K]+ 244.90356 129.7
[M+H-H2O]+ 188.93766 113.8
[M+HCOO]- 250.93860 138.3
[M+CH3COO]- 264.95425 176.4
[M+Na-2H]- 226.91507 117.9
[M]+ 205.93985 117.4
[M]- 205.94095 117.4
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