CID 216604

N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1CC(C2=C(C=C(C=C2)Cl)OC1)NC=O
InChI
InChI=1S/C11H12ClNO2/c12-8-3-4-9-10(13-7-14)2-1-5-15-11(9)6-8/h3-4,6-7,10H,1-2,5H2,(H,13,14)
InChIKey
MHQXOVNDUKNURB-UHFFFAOYSA-N
Compound name
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 143.6
[M+Na]+ 248.044868 150.7
[M-H]- 224.048374 149.4
[M+NH4]+ 243.089473 161.3
[M+K]+ 264.018808 152.1
[M+H-H2O]+ 208.052910 138.8
[M+HCOO]- 270.053851 160.4
[M+CH3COO]- 284.069501 190.9
[M+Na-2H]- 246.030316 151.0
[M]+ 225.05510142 141.9
[M]- 225.05619858 141.9
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.