CID 116991545

3,3-difluoropiperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H8ClF2NO
SMILES
C1CC(CN(C1)C(=O)Cl)(F)F
InChI
InChI=1S/C6H8ClF2NO/c7-5(11)10-3-1-2-6(8,9)4-10/h1-4H2
InChIKey
RRKPGMQRMINEQI-UHFFFAOYSA-N
Compound name
3,3-difluoropiperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.02625 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03353 131.0
[M+Na]+ 206.01547 139.3
[M-H]- 182.01897 130.3
[M+NH4]+ 201.06007 152.2
[M+K]+ 221.98941 136.6
[M+H-H2O]+ 166.02351 124.9
[M+HCOO]- 228.02445 143.7
[M+CH3COO]- 242.04010 177.3
[M+Na-2H]- 204.00092 135.5
[M]+ 183.02570 126.2
[M]- 183.02680 126.2
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.