CID 12225

2-iodoethanol

Structural Information

Molecular Formula
C2H5IO
SMILES
C(CI)O
InChI
InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2
InChIKey
QSECPQCFCWVBKM-UHFFFAOYSA-N
Compound name
2-iodoethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

8897
Patents

171.9385 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.94578 119.9
[M+Na]+ 194.92772 121.0
[M-H]- 170.93122 112.7
[M+NH4]+ 189.97232 138.8
[M+K]+ 210.90166 126.8
[M+H-H2O]+ 154.93576 112.7
[M+HCOO]- 216.93670 138.3
[M+CH3COO]- 230.95235 167.2
[M+Na-2H]- 192.91317 115.6
[M]+ 171.93795 116.8
[M]- 171.93905 116.8
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