CID 53418166

5,5-difluorobicyclo[2.2.1]heptan-2-amine hydrochloride

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1C2CC(C1CC2(F)F)N
InChI
InChI=1S/C7H11F2N/c8-7(9)3-4-1-5(7)2-6(4)10/h4-6H,1-3,10H2
InChIKey
IHRPFJIOQZHOJA-UHFFFAOYSA-N
Compound name
5,5-difluorobicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.08595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 127.3
[M+Na]+ 170.07517 136.2
[M-H]- 146.07867 127.6
[M+NH4]+ 165.11977 155.5
[M+K]+ 186.04911 133.5
[M+H-H2O]+ 130.08321 122.3
[M+HCOO]- 192.08415 147.5
[M+CH3COO]- 206.09980 176.9
[M+Na-2H]- 168.06062 130.9
[M]+ 147.08540 121.4
[M]- 147.08650 121.4
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