CID 80606072

2803863-09-2

Structural Information

Molecular Formula
C8H15F2N
SMILES
C1CCCC(CC1)(C(F)F)N
InChI
InChI=1S/C8H15F2N/c9-7(10)8(11)5-3-1-2-4-6-8/h7H,1-6,11H2
InChIKey
NPIMHHXLHDHAAS-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.124526 126.9
[M+Na]+ 186.106468 129.6
[M-H]- 162.109974 127.8
[M+NH4]+ 181.151073 147.0
[M+K]+ 202.080408 132.2
[M+H-H2O]+ 146.114510 120.6
[M+HCOO]- 208.115451 144.1
[M+CH3COO]- 222.131101 181.4
[M+Na-2H]- 184.091916 130.6
[M]+ 163.11670142 114.9
[M]- 163.11779858 114.9
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

No patent data available for this compound.