CID 7016437

(r)-6-chloro-2-hexanol

Structural Information

Molecular Formula
C6H13ClO
SMILES
C[C@H](CCCCCl)O
InChI
InChI=1S/C6H13ClO/c1-6(8)4-2-3-5-7/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKey
LDIPECSHAACCTQ-ZCFIWIBFSA-N
Compound name
(2R)-6-chlorohexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

136.06549 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07277 128.1
[M+Na]+ 159.05471 135.5
[M-H]- 135.05821 126.9
[M+NH4]+ 154.09931 150.3
[M+K]+ 175.02865 133.1
[M+H-H2O]+ 119.06275 125.0
[M+HCOO]- 181.06369 145.1
[M+CH3COO]- 195.07934 171.3
[M+Na-2H]- 157.04016 133.1
[M]+ 136.06494 130.0
[M]- 136.06604 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe