CID 50989732

7,7-difluorobicyclo[4.1.0]heptan-2-amine hydrochloride

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1CC2C(C2(F)F)C(C1)N
InChI
InChI=1S/C7H11F2N/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6H,1-3,10H2
InChIKey
KMCWIAYQAMMYGR-UHFFFAOYSA-N
Compound name
7,7-difluorobicyclo[4.1.0]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 124.9
[M+Na]+ 170.07517 134.9
[M-H]- 146.07867 127.6
[M+NH4]+ 165.11977 144.1
[M+K]+ 186.04911 132.3
[M+H-H2O]+ 130.08321 118.8
[M+HCOO]- 192.08415 143.7
[M+CH3COO]- 206.09980 181.2
[M+Na-2H]- 168.06062 131.2
[M]+ 147.08540 121.0
[M]- 147.08650 121.0
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.