CID 53393482

4,4-difluoroazepane hydrochloride

Structural Information

Molecular Formula
C6H11F2N
SMILES
C1CC(CCNC1)(F)F
InChI
InChI=1S/C6H11F2N/c7-6(8)2-1-4-9-5-3-6/h9H,1-5H2
InChIKey
JGHLRHACKQVDPU-UHFFFAOYSA-N
Compound name
4,4-difluoroazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

135.08595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09323 118.2
[M+Na]+ 158.07517 122.4
[M-H]- 134.07867 117.2
[M+NH4]+ 153.11977 138.0
[M+K]+ 174.04911 124.2
[M+H-H2O]+ 118.08321 111.3
[M+HCOO]- 180.08415 133.9
[M+CH3COO]- 194.09980 171.1
[M+Na-2H]- 156.06062 124.4
[M]+ 135.08540 106.5
[M]- 135.08650 106.5
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