CID 47003591

2-(fluoromethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C6H12FN
SMILES
C1CCNC(C1)CF
InChI
InChI=1S/C6H12FN/c7-5-6-3-1-2-4-8-6/h6,8H,1-5H2
InChIKey
VMMNQROZBNSKSB-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

117.095375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.10265 124.0
[M+Na]+ 140.08459 129.1
[M-H]- 116.08810 122.6
[M+NH4]+ 135.12920 144.1
[M+K]+ 156.05853 127.3
[M+H-H2O]+ 100.09264 117.2
[M+HCOO]- 162.09358 141.2
[M+CH3COO]- 176.10923 166.1
[M+Na-2H]- 138.07004 129.7
[M]+ 117.09483 115.9
[M]- 117.09592 115.9
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

patents stripe