CID 28533

3,3,4,4-tetrafluoro-2-butanol, tech.

Structural Information

Molecular Formula
C4H6F4O
SMILES
CC(C(C(F)F)(F)F)O
InChI
InChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3
InChIKey
UPMGUZUMWYWMKI-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

146.03548 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04276 122.8
[M+Na]+ 169.02470 130.5
[M-H]- 145.02820 116.9
[M+NH4]+ 164.06930 143.3
[M+K]+ 184.99864 130.0
[M+H-H2O]+ 129.03274 115.9
[M+HCOO]- 191.03368 138.2
[M+CH3COO]- 205.04933 173.7
[M+Na-2H]- 167.01015 126.3
[M]+ 146.03493 115.9
[M]- 146.03603 115.9
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