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

58
Patents

136.06549 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.072766 128.1
[M+Na]+ 159.054708 135.5
[M-H]- 135.058214 126.9
[M+NH4]+ 154.099313 150.3
[M+K]+ 175.028648 133.1
[M+H-H2O]+ 119.062750 125.0
[M+HCOO]- 181.063691 145.1
[M+CH3COO]- 195.079341 171.3
[M+Na-2H]- 157.040156 133.1
[M]+ 136.06494142 130.0
[M]- 136.06603858 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