CID 154809635

(2r)-1-chloro-3-iodo-propan-2-ol

Structural Information

Molecular Formula
C3H6ClIO
SMILES
C([C@H](CI)O)Cl
InChI
InChI=1S/C3H6ClIO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m1/s1
InChIKey
NNKLXTNMYBPXIB-GSVOUGTGSA-N
Compound name
(2R)-1-chloro-3-iodopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.91519 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.92247 127.7
[M+Na]+ 242.90441 129.0
[M-H]- 218.90791 120.4
[M+NH4]+ 237.94901 145.7
[M+K]+ 258.87835 132.9
[M+H-H2O]+ 202.91245 121.3
[M+HCOO]- 264.91339 140.8
[M+CH3COO]- 278.92904 174.5
[M+Na-2H]- 240.88986 121.6
[M]+ 219.91464 126.1
[M]- 219.91574 126.1
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

No patent data available for this compound.