CID 207929

31185-61-2

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CCNC(OCC1)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6-11-4-2-1-3-5-12-6/h6,11H,1-5H2
InChIKey
BPENNPDDRHXAFG-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-oxazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 142.3
[M+Na]+ 206.076318 146.5
[M-H]- 182.079824 141.3
[M+NH4]+ 201.120923 149.8
[M+K]+ 222.050258 147.2
[M+H-H2O]+ 166.084360 137.8
[M+HCOO]- 228.085301 148.0
[M+CH3COO]- 242.100951 219.1
[M+Na-2H]- 204.061766 143.3
[M]+ 183.08655142 138.1
[M]- 183.08764858 138.1
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.