CID 13569

4-chloro-1-butanol

Structural Information

Molecular Formula
C4H9ClO
SMILES
C(CCCl)CO
InChI
InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
HXHGULXINZUGJX-UHFFFAOYSA-N
Compound name
4-chlorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

23305
Patents

108.034195 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04147 116.8
[M+Na]+ 131.02341 128.6
[M+NH4]+ 126.06802 125.9
[M+K]+ 146.99735 122.2
[M-H]- 107.02692 116.6
[M+Na-2H]- 129.00886 121.8
[M]+ 108.03365 118.6
[M]- 108.03474 118.6
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