CID 3649141

5-chloropentan-2-ol

Structural Information

Molecular Formula
C5H11ClO
SMILES
CC(CCCCl)O
InChI
InChI=1S/C5H11ClO/c1-5(7)3-2-4-6/h5,7H,2-4H2,1H3
InChIKey
FLSMMDCDBMBKCE-UHFFFAOYSA-N
Compound name
5-chloropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

122.04984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 123.4
[M+Na]+ 145.03906 131.2
[M-H]- 121.04256 122.4
[M+NH4]+ 140.08366 146.1
[M+K]+ 161.01300 129.0
[M+H-H2O]+ 105.04710 120.5
[M+HCOO]- 167.04804 140.8
[M+CH3COO]- 181.06369 168.3
[M+Na-2H]- 143.02451 128.9
[M]+ 122.04929 124.9
[M]- 122.05039 124.9
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