CID 57445156

1-(trifluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C1CC(C1)(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2
InChIKey
LAVGIFVKTRAAKV-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

140.0449 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 124.6
[M+Na]+ 163.03412 131.8
[M-H]- 139.03762 123.6
[M+NH4]+ 158.07872 141.0
[M+K]+ 179.00806 133.3
[M+H-H2O]+ 123.04216 114.6
[M+HCOO]- 185.04310 141.2
[M+CH3COO]- 199.05875 172.7
[M+Na-2H]- 161.01957 131.3
[M]+ 140.04435 127.0
[M]- 140.04545 127.0
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