CID 136270

2,2,3,3-tetrafluoro-1,4-butanediol

Structural Information

Molecular Formula
C4H6F4O2
SMILES
C(C(C(CO)(F)F)(F)F)O
InChI
InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2
InChIKey
CDZXJJOGDCLNKX-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluorobutane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

866
Patents

162.0304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03768 126.4
[M+Na]+ 185.01962 134.5
[M-H]- 161.02312 119.1
[M+NH4]+ 180.06422 145.6
[M+K]+ 200.99356 133.0
[M+H-H2O]+ 145.02766 119.9
[M+HCOO]- 207.02860 140.8
[M+CH3COO]- 221.04425 171.8
[M+Na-2H]- 183.00507 132.5
[M]+ 162.02985 119.7
[M]- 162.03095 119.7
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