CID 84764909

2172473-72-0

Structural Information

Molecular Formula
C7H13F2NO
SMILES
CC(C1(CCOCC1)N)(F)F
InChI
InChI=1S/C7H13F2NO/c1-6(8,9)7(10)2-4-11-5-3-7/h2-5,10H2,1H3
InChIKey
BSUNWDBVTSYDIK-UHFFFAOYSA-N
Compound name
4-(1,1-difluoroethyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09653 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10381 132.9
[M+Na]+ 188.08575 138.7
[M-H]- 164.08925 133.5
[M+NH4]+ 183.13035 153.4
[M+K]+ 204.05969 138.8
[M+H-H2O]+ 148.09379 126.8
[M+HCOO]- 210.09473 149.7
[M+CH3COO]- 224.11038 177.8
[M+Na-2H]- 186.07120 140.0
[M]+ 165.09598 125.5
[M]- 165.09708 125.5
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.