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

2
Patents

141.99522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00250 123.4
[M+Na]+ 164.98444 134.9
[M+NH4]+ 160.02904 132.2
[M+K]+ 180.95838 129.5
[M-H]- 140.98794 122.5
[M+Na-2H]- 162.96989 127.5
[M]+ 141.99467 125.2
[M]- 141.99577 125.2
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