CID 125424143

2094851-02-0

Structural Information

Molecular Formula
C10H10F3NO
SMILES
C1[C@H]([C@@H](OC2=CC=CC=C21)C(F)(F)F)N
InChI
InChI=1S/C10H10F3NO/c11-10(12,13)9-7(14)5-6-3-1-2-4-8(6)15-9/h1-4,7,9H,5,14H2/t7-,9-/m1/s1
InChIKey
AAMBEWXHCMJKOP-VXNVDRBHSA-N
Compound name
(2R,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.07144 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 142.8
[M+Na]+ 240.06066 151.0
[M-H]- 216.06416 143.6
[M+NH4]+ 235.10526 160.8
[M+K]+ 256.03460 148.6
[M+H-H2O]+ 200.06870 134.6
[M+HCOO]- 262.06964 158.9
[M+CH3COO]- 276.08529 188.9
[M+Na-2H]- 238.04611 149.3
[M]+ 217.07089 136.0
[M]- 217.07199 136.0
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.