CID 541905

(2,2-dichlorocyclopropyl)methanol

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
C1C(C1(Cl)Cl)CO
InChI
InChI=1S/C4H6Cl2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKey
KRHRPJKHUHTSDK-UHFFFAOYSA-N
Compound name
(2,2-dichlorocyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

139.97957 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98685 119.8
[M+Na]+ 162.96879 133.9
[M+NH4]+ 158.01339 131.0
[M+K]+ 178.94273 127.5
[M-H]- 138.97229 127.5
[M+Na-2H]- 160.95424 129.7
[M]+ 139.97902 125.7
[M]- 139.98012 125.7
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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