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]+ 152.08815 120.2
[M+Na]+ 174.07009 123.3
[M-H]- 150.07359 119.5
[M+NH4]+ 169.11469 136.3
[M+K]+ 190.04403 127.2
[M+H-H2O]+ 134.07813 112.7
[M+HCOO]- 196.07907 134.4
[M+CH3COO]- 210.09472 174.0
[M+Na-2H]- 172.05554 125.3
[M]+ 151.08032 109.7
[M]- 151.08142 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.