CID 6441

2,2,3,3-tetrafluoro-1-propanol

Structural Information

Molecular Formula
C3H4F4O
SMILES
C(C(C(F)F)(F)F)O
InChI
InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKey
NBUKAOOFKZFCGD-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

13165
Patents

132.01982 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02710 118.2
[M+Na]+ 155.00904 126.6
[M-H]- 131.01254 112.4
[M+NH4]+ 150.05364 139.3
[M+K]+ 170.98298 125.9
[M+H-H2O]+ 115.01708 111.4
[M+HCOO]- 177.01802 134.9
[M+CH3COO]- 191.03367 169.8
[M+Na-2H]- 152.99449 123.4
[M]+ 132.01927 111.6
[M]- 132.02037 111.6
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