CID 86159399

2,3,3-trifluoro-1-iodoprop-1-ene

Structural Information

Molecular Formula
C3H2F3I
SMILES
C(=C(C(F)F)F)I
InChI
InChI=1S/C3H2F3I/c4-2(1-7)3(5)6/h1,3H
InChIKey
NPIYAKOYXRAKAR-UHFFFAOYSA-N
Compound name
2,3,3-trifluoro-1-iodoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

221.91533 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92261 121.6
[M+Na]+ 244.90455 122.8
[M-H]- 220.90805 112.0
[M+NH4]+ 239.94915 139.1
[M+K]+ 260.87849 128.0
[M+H-H2O]+ 204.91259 111.7
[M+HCOO]- 266.91353 136.4
[M+CH3COO]- 280.92918 178.8
[M+Na-2H]- 242.89000 113.9
[M]+ 221.91478 114.1
[M]- 221.91588 114.1
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