CID 11252

3-chlorobutan-2-ol

Structural Information

Molecular Formula
C4H9ClO
SMILES
CC(C(C)Cl)O
InChI
InChI=1S/C4H9ClO/c1-3(5)4(2)6/h3-4,6H,1-2H3
InChIKey
XKEHIUIIEXXHJX-UHFFFAOYSA-N
Compound name
3-chlorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

108.034195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04147 118.6
[M+Na]+ 131.02341 126.5
[M-H]- 107.02692 117.9
[M+NH4]+ 126.06802 141.8
[M+K]+ 146.99735 125.1
[M+H-H2O]+ 91.031455 116.0
[M+HCOO]- 153.03240 135.3
[M+CH3COO]- 167.04805 166.1
[M+Na-2H]- 129.00886 123.4
[M]+ 108.03365 119.1
[M]- 108.03474 119.1
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