CID 12023677

64139-78-2

Structural Information

Molecular Formula
C4H5F6NO
SMILES
C(C(C(F)(F)F)(C(F)(F)F)O)N
InChI
InChI=1S/C4H5F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h12H,1,11H2
InChIKey
QGLIOTYTGRWVPT-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

197.02753 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03481 132.1
[M+Na]+ 220.01675 140.4
[M-H]- 196.02025 123.5
[M+NH4]+ 215.06135 150.0
[M+K]+ 235.99069 138.6
[M+H-H2O]+ 180.02479 123.8
[M+HCOO]- 242.02573 144.5
[M+CH3COO]- 256.04138 181.8
[M+Na-2H]- 218.00220 137.5
[M]+ 197.02698 120.5
[M]- 197.02808 120.5
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