CID 136307

4,4,4-trifluoro-1-butanol

Structural Information

Molecular Formula
C4H7F3O
SMILES
C(CC(F)(F)F)CO
InChI
InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey
VKRFUGHXKNNIJO-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2511
Patents

128.0449 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05218 129.0
[M+Na]+ 151.03412 136.3
[M+NH4]+ 146.07872 134.5
[M+K]+ 167.00806 131.9
[M-H]- 127.03762 123.5
[M+Na-2H]- 149.01957 130.8
[M]+ 128.04435 128.0
[M]- 128.04545 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe