CID 212987

1,1,1-trichlorohexane-2,3-diol

Structural Information

Molecular Formula
C6H11Cl3O2
SMILES
CCCC(C(C(Cl)(Cl)Cl)O)O
InChI
InChI=1S/C6H11Cl3O2/c1-2-3-4(10)5(11)6(7,8)9/h4-5,10-11H,2-3H2,1H3
InChIKey
WHZQHOWMESPCCL-UHFFFAOYSA-N
Compound name
1,1,1-trichlorohexane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.98247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98975 140.0
[M+Na]+ 242.97169 147.5
[M-H]- 218.97519 136.6
[M+NH4]+ 238.01629 158.5
[M+K]+ 258.94563 142.6
[M+H-H2O]+ 202.97973 139.3
[M+HCOO]- 264.98067 143.3
[M+CH3COO]- 278.99632 181.7
[M+Na-2H]- 240.95714 142.4
[M]+ 219.98192 141.2
[M]- 219.98302 141.2
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