CID 79312

3-chloro-2-(chloromethyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C5H10Cl2O
SMILES
CC(CO)(CCl)CCl
InChI
InChI=1S/C5H10Cl2O/c1-5(2-6,3-7)4-8/h8H,2-4H2,1H3
InChIKey
DOANJBQUOFJQHC-UHFFFAOYSA-N
Compound name
3-chloro-2-(chloromethyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

156.01086 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01814 128.7
[M+Na]+ 179.00008 140.4
[M+NH4]+ 174.04468 137.4
[M+K]+ 194.97402 134.3
[M-H]- 155.00358 127.6
[M+Na-2H]- 176.98553 133.1
[M]+ 156.01031 130.6
[M]- 156.01141 130.6
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

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