CID 78980

354-26-7

Structural Information

Molecular Formula
C2HClF3I
SMILES
C(C(F)(F)Cl)(F)I
InChI
InChI=1S/C2HClF3I/c3-2(5,6)1(4)7/h1H
InChIKey
XONGRFUEHPBOBB-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2-trifluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

243.87636 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.88364 121.2
[M+Na]+ 266.86558 123.9
[M-H]- 242.86908 111.8
[M+NH4]+ 261.91018 138.8
[M+K]+ 282.83952 127.6
[M+H-H2O]+ 226.87362 112.8
[M+HCOO]- 288.87456 131.5
[M+CH3COO]- 302.89021 180.6
[M+Na-2H]- 264.85103 115.6
[M]+ 243.87581 116.0
[M]- 243.87691 116.0
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