CID 78981

354-61-0

Structural Information

Molecular Formula
C2Cl2F3I
SMILES
C(C(F)(Cl)I)(F)(F)Cl
InChI
InChI=1S/C2Cl2F3I/c3-1(5,6)2(4,7)8
InChIKey
HCUGPHQZDLROAY-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,1,2-trifluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

277.8374 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.84468 125.4
[M+Na]+ 300.82662 129.1
[M-H]- 276.83012 115.8
[M+NH4]+ 295.87122 142.2
[M+K]+ 316.80056 131.0
[M+H-H2O]+ 260.83466 118.0
[M+HCOO]- 322.83560 130.5
[M+CH3COO]- 336.85125 184.8
[M+Na-2H]- 298.81207 121.2
[M]+ 277.83685 121.1
[M]- 277.83795 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe