CID 84649293

4,4-difluoro-5-methylazepane hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
CC1CCNCCC1(F)F
InChI
InChI=1S/C7H13F2N/c1-6-2-4-10-5-3-7(6,8)9/h6,10H,2-5H2,1H3
InChIKey
KSDBKSTXUKTKSC-UHFFFAOYSA-N
Compound name
4,4-difluoro-5-methylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

149.10161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 121.7
[M+Na]+ 172.09083 126.4
[M-H]- 148.09433 120.9
[M+NH4]+ 167.13543 141.3
[M+K]+ 188.06477 128.1
[M+H-H2O]+ 132.09887 115.0
[M+HCOO]- 194.09981 137.2
[M+CH3COO]- 208.11546 174.9
[M+Na-2H]- 170.07628 126.8
[M]+ 149.10106 110.8
[M]- 149.10216 110.8
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