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]+ 155.00250 122.2
[M+Na]+ 176.98444 133.2
[M-H]- 152.98794 125.1
[M+NH4]+ 172.02904 141.0
[M+K]+ 192.95838 129.1
[M+H-H2O]+ 136.99248 120.0
[M+HCOO]- 198.99342 135.7
[M+CH3COO]- 213.00907 175.2
[M+Na-2H]- 174.96989 129.3
[M]+ 153.99467 126.7
[M]- 153.99577 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