CID 91927207

2055390-08-2

Structural Information

Molecular Formula
C4H8F3NO
SMILES
CC(COC(F)(F)F)N
InChI
InChI=1S/C4H8F3NO/c1-3(8)2-9-4(5,6)7/h3H,2,8H2,1H3
InChIKey
CYHCPKZOQXHZHN-UHFFFAOYSA-N
Compound name
1-(trifluoromethoxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

143.0558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06308 124.7
[M+Na]+ 166.04502 132.2
[M-H]- 142.04852 120.9
[M+NH4]+ 161.08962 145.7
[M+K]+ 182.01896 132.2
[M+H-H2O]+ 126.05306 117.9
[M+HCOO]- 188.05400 144.0
[M+CH3COO]- 202.06965 176.0
[M+Na-2H]- 164.03047 129.5
[M]+ 143.05525 119.8
[M]- 143.05635 119.8
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