CID 62347704

1427380-92-4

Structural Information

Molecular Formula
C9H10F3NO3S
SMILES
C1=CC(=CC=C1OCCN)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H10F3NO3S/c10-9(11,12)17(14,15)8-3-1-7(2-4-8)16-6-5-13/h1-4H,5-6,13H2
InChIKey
MREOPMZJNSWBQS-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethylsulfonyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.03336 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04064 151.8
[M+Na]+ 292.02258 160.3
[M-H]- 268.02608 151.1
[M+NH4]+ 287.06718 168.0
[M+K]+ 307.99652 156.6
[M+H-H2O]+ 252.03062 143.2
[M+HCOO]- 314.03156 166.0
[M+CH3COO]- 328.04721 193.3
[M+Na-2H]- 290.00803 155.4
[M]+ 269.03281 150.5
[M]- 269.03391 150.5
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

No patent data available for this compound.