CID 2782456

2-aminohexafluoroisopropanol

Structural Information

Molecular Formula
C3H3F6NO
SMILES
C(C(F)(F)F)(C(F)(F)F)(N)O
InChI
InChI=1S/C3H3F6NO/c4-2(5,6)1(10,11)3(7,8)9/h11H,10H2
InChIKey
KENSSLIXPGVLRV-UHFFFAOYSA-N
Compound name
2-amino-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

183.01189 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01917 127.4
[M+Na]+ 206.00111 136.1
[M-H]- 182.00461 118.9
[M+NH4]+ 201.04571 145.8
[M+K]+ 221.97505 134.5
[M+H-H2O]+ 166.00915 119.3
[M+HCOO]- 228.01009 140.1
[M+CH3COO]- 242.02574 178.8
[M+Na-2H]- 203.98656 133.3
[M]+ 183.01134 115.4
[M]- 183.01244 115.4
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