CID 12484479

4-chlorobutan-2-ol

Structural Information

Molecular Formula
C4H9ClO
SMILES
CC(CCCl)O
InChI
InChI=1S/C4H9ClO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3
InChIKey
AKMIPCJUTXDZKR-UHFFFAOYSA-N
Compound name
4-chlorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

108.034195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04147 117.4
[M+Na]+ 131.02341 128.8
[M+NH4]+ 126.06802 126.3
[M+K]+ 146.99735 123.2
[M-H]- 107.02692 116.9
[M+Na-2H]- 129.00886 121.9
[M]+ 108.03365 119.0
[M]- 108.03474 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe