CID 7289

1,3-dichloro-2-propanol

Structural Information

Molecular Formula
C3H6Cl2O
SMILES
C(C(CCl)O)Cl
InChI
InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
DEWLEGDTCGBNGU-UHFFFAOYSA-N
Compound name
1,3-dichloropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

103
References

18223
Patents

127.97957 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.98685 119.1
[M+Na]+ 150.96879 128.0
[M-H]- 126.97229 117.8
[M+NH4]+ 146.01339 141.8
[M+K]+ 166.94273 124.6
[M+H-H2O]+ 110.97683 117.4
[M+HCOO]- 172.97777 132.1
[M+CH3COO]- 186.99342 167.3
[M+Na-2H]- 148.95424 125.0
[M]+ 127.97902 120.6
[M]- 127.98012 120.6
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.