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

99
Patents

139.97957 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.986846 117.9
[M+Na]+ 162.968788 129.4
[M-H]- 138.972294 121.1
[M+NH4]+ 158.013393 137.3
[M+K]+ 178.942728 125.5
[M+H-H2O]+ 122.976830 116.0
[M+HCOO]- 184.977771 131.8
[M+CH3COO]- 198.993421 172.4
[M+Na-2H]- 160.954236 125.6
[M]+ 139.97902142 122.1
[M]- 139.98011858 122.1
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