CID 146049885

2413877-57-1

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2CC1(OC2C(F)(F)F)CN
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)5-4-1-6(2-4,3-11)12-5/h4-5H,1-3,11H2
InChIKey
MPCVEFWFNTXWDI-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 141.5
[M+Na]+ 204.060658 148.5
[M-H]- 180.064164 139.6
[M+NH4]+ 199.105263 162.4
[M+K]+ 220.034598 150.1
[M+H-H2O]+ 164.068700 133.5
[M+HCOO]- 226.069641 155.4
[M+CH3COO]- 240.085291 186.8
[M+Na-2H]- 202.046106 149.0
[M]+ 181.07089142 149.6
[M]- 181.07198858 149.6
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.