CID 12809147

4-chloropentan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

122.04984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.057116 123.4
[M+Na]+ 145.039058 131.2
[M-H]- 121.042564 122.4
[M+NH4]+ 140.083663 146.1
[M+K]+ 161.012998 129.0
[M+H-H2O]+ 105.047100 120.5
[M+HCOO]- 167.048041 140.8
[M+CH3COO]- 181.063691 168.3
[M+Na-2H]- 143.024506 128.9
[M]+ 122.04929142 124.9
[M]- 122.05038858 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