CID 86130088

2-(2,2-dichlorocyclopropyl)ethan-1-ol

Structural Information

Molecular Formula
C5H8Cl2O
SMILES
C1C(C1(Cl)Cl)CCO
InChI
InChI=1S/C5H8Cl2O/c6-5(7)3-4(5)1-2-8/h4,8H,1-3H2
InChIKey
GGTCCRWEOQFXIR-UHFFFAOYSA-N
Compound name
2-(2,2-dichlorocyclopropyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.99522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.002496 122.2
[M+Na]+ 176.984438 133.2
[M-H]- 152.987944 125.1
[M+NH4]+ 172.029043 141.0
[M+K]+ 192.958378 129.1
[M+H-H2O]+ 136.992480 120.0
[M+HCOO]- 198.993421 135.7
[M+CH3COO]- 213.009071 175.2
[M+Na-2H]- 174.969886 129.3
[M]+ 153.99467142 126.7
[M]- 153.99576858 126.7
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