CID 65805929

1-iodo-2-trifluoromethoxy-ethane

Structural Information

Molecular Formula
C3H4F3IO
SMILES
C(CI)OC(F)(F)F
InChI
InChI=1S/C3H4F3IO/c4-3(5,6)8-2-1-7/h1-2H2
InChIKey
BSZSPBABRXNBIE-UHFFFAOYSA-N
Compound name
1-iodo-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.9259 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.93318 128.9
[M+Na]+ 262.91512 130.7
[M-H]- 238.91862 119.3
[M+NH4]+ 257.95972 145.9
[M+K]+ 278.88906 136.3
[M+H-H2O]+ 222.92316 119.1
[M+HCOO]- 284.92410 144.1
[M+CH3COO]- 298.93975 180.2
[M+Na-2H]- 260.90057 123.8
[M]+ 239.92535 124.1
[M]- 239.92645 124.1
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