CID 126995207

1935343-50-2

Structural Information

Molecular Formula
C7H10ClF2NO
SMILES
C1CN(CCC1C(F)F)C(=O)Cl
InChI
InChI=1S/C7H10ClF2NO/c8-7(12)11-3-1-5(2-4-11)6(9)10/h5-6H,1-4H2
InChIKey
DGJQRNOQXRUXOI-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)piperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04918 136.7
[M+Na]+ 220.03112 143.4
[M-H]- 196.03462 135.5
[M+NH4]+ 215.07572 155.3
[M+K]+ 236.00506 140.6
[M+H-H2O]+ 180.03916 129.6
[M+HCOO]- 242.04010 148.0
[M+CH3COO]- 256.05575 181.6
[M+Na-2H]- 218.01657 138.3
[M]+ 197.04135 131.5
[M]- 197.04245 131.5
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.