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]+ 184.09438 142.3
[M+Na]+ 206.07632 146.5
[M-H]- 182.07982 141.3
[M+NH4]+ 201.12092 149.8
[M+K]+ 222.05026 147.2
[M+H-H2O]+ 166.08436 137.8
[M+HCOO]- 228.08530 148.0
[M+CH3COO]- 242.10095 219.1
[M+Na-2H]- 204.06177 143.3
[M]+ 183.08655 138.1
[M]- 183.08765 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.