CID 137838075

2089257-21-4

Structural Information

Molecular Formula
C6H6ClF4N
SMILES
C1C2C(CN1)(C(C2(F)F)(F)F)Cl
InChI
InChI=1S/C6H6ClF4N/c7-4-2-12-1-3(4)5(8,9)6(4,10)11/h3,12H,1-2H2
InChIKey
PARHJRQLCVJPPY-UHFFFAOYSA-N
Compound name
1-chloro-6,6,7,7-tetrafluoro-3-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0125 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01978 130.6
[M+Na]+ 226.00172 142.1
[M-H]- 202.00522 128.6
[M+NH4]+ 221.04632 151.1
[M+K]+ 241.97566 138.9
[M+H-H2O]+ 186.00976 122.1
[M+HCOO]- 248.01070 141.2
[M+CH3COO]- 262.02635 182.8
[M+Na-2H]- 223.98717 136.2
[M]+ 203.01195 133.5
[M]- 203.01305 133.5
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.