CID 146155285

2302738-06-1

Structural Information

Molecular Formula
C6H7ClF3NO
SMILES
C1C(CN1C(=O)Cl)CC(F)(F)F
InChI
InChI=1S/C6H7ClF3NO/c7-5(12)11-2-4(3-11)1-6(8,9)10/h4H,1-3H2
InChIKey
DWJHFQGWCOZXOB-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)azetidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02411 133.1
[M+Na]+ 224.00605 141.3
[M-H]- 200.00955 131.5
[M+NH4]+ 219.05065 145.7
[M+K]+ 239.97999 141.1
[M+H-H2O]+ 184.01409 121.3
[M+HCOO]- 246.01503 144.5
[M+CH3COO]- 260.03068 185.2
[M+Na-2H]- 221.99150 136.7
[M]+ 201.01628 138.7
[M]- 201.01738 138.7
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.