CID 10192575

1,3-dichlorobutan-2-ol

Structural Information

Molecular Formula
C4H8Cl2O
SMILES
CC(C(CCl)O)Cl
InChI
InChI=1S/C4H8Cl2O/c1-3(6)4(7)2-5/h3-4,7H,2H2,1H3
InChIKey
RCWHZEBSWOBIDT-UHFFFAOYSA-N
Compound name
1,3-dichlorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

141.99522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.002496 123.4
[M+Na]+ 164.984438 131.7
[M-H]- 140.987944 122.1
[M+NH4]+ 160.029043 145.5
[M+K]+ 180.958378 128.5
[M+H-H2O]+ 124.992480 121.7
[M+HCOO]- 186.993421 135.2
[M+CH3COO]- 201.009071 171.1
[M+Na-2H]- 162.969886 127.6
[M]+ 141.99467142 124.8
[M]- 141.99576858 124.8
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