CID 101412767

1-(trichloromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H7Cl3O
SMILES
C1CC(C1)(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C5H7Cl3O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2
InChIKey
VHOOIIMDWJHGGY-UHFFFAOYSA-N
Compound name
1-(trichloromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.95625 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96353 124.4
[M+Na]+ 210.94547 133.1
[M-H]- 186.94897 125.4
[M+NH4]+ 205.99007 140.6
[M+K]+ 226.91941 130.5
[M+H-H2O]+ 170.95351 119.8
[M+HCOO]- 232.95445 130.2
[M+CH3COO]- 246.97010 179.0
[M+Na-2H]- 208.93092 131.6
[M]+ 187.95570 132.6
[M]- 187.95680 132.6
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

No patent data available for this compound.