CID 53433750

3-(trifluoromethoxy)propan-1-ol

Structural Information

Molecular Formula
C4H7F3O2
SMILES
C(CO)COC(F)(F)F
InChI
InChI=1S/C4H7F3O2/c5-4(6,7)9-3-1-2-8/h8H,1-3H2
InChIKey
DKJIZESVWJPTPV-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

144.03981 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04709 123.6
[M+Na]+ 167.02903 131.8
[M-H]- 143.03253 118.9
[M+NH4]+ 162.07363 144.5
[M+K]+ 183.00297 131.3
[M+H-H2O]+ 127.03707 117.3
[M+HCOO]- 189.03801 142.3
[M+CH3COO]- 203.05366 170.4
[M+Na-2H]- 165.01448 130.2
[M]+ 144.03926 120.8
[M]- 144.04036 120.8
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