CID 2775199

2-iodo-3,3,3-trifluoropropene

Structural Information

Molecular Formula
C3H2F3I
SMILES
C=C(C(F)(F)F)I
InChI
InChI=1S/C3H2F3I/c1-2(7)3(4,5)6/h1H2
InChIKey
LHRSMHZCHIDYBT-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-iodoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

221.91533 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92261 121.7
[M+Na]+ 244.90455 123.7
[M-H]- 220.90805 112.4
[M+NH4]+ 239.94915 139.4
[M+K]+ 260.87849 128.7
[M+H-H2O]+ 204.91259 112.5
[M+HCOO]- 266.91353 136.1
[M+CH3COO]- 280.92918 178.2
[M+Na-2H]- 242.89000 115.8
[M]+ 221.91478 114.3
[M]- 221.91588 114.3
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

patents stripe