CID 105429515

7-(difluoromethyl)-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1CNCCOC1C(F)F
InChI
InChI=1S/C6H11F2NO/c7-6(8)5-1-2-9-3-4-10-5/h5-6,9H,1-4H2
InChIKey
BPFDCJUMTPFAQM-UHFFFAOYSA-N
Compound name
7-(difluoromethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.08087 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 120.2
[M+Na]+ 174.070088 123.3
[M-H]- 150.073594 119.5
[M+NH4]+ 169.114693 136.3
[M+K]+ 190.044028 127.2
[M+H-H2O]+ 134.078130 112.7
[M+HCOO]- 196.079071 134.4
[M+CH3COO]- 210.094721 174.0
[M+Na-2H]- 172.055536 125.3
[M]+ 151.08032142 109.7
[M]- 151.08141858 109.7
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.