CID 15709643

1-cyclopropyl-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C1CC1C(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2
InChIKey
PQHMFPNCDSFTAV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

140.0449 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 135.1
[M+Na]+ 163.03412 142.4
[M+NH4]+ 158.07872 141.0
[M+K]+ 179.00806 140.6
[M-H]- 139.03762 136.8
[M+Na-2H]- 161.01957 139.3
[M]+ 140.04435 137.1
[M]- 140.04545 137.1
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