CID 216604

37483-68-4

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]+ 226.06293 145.4
[M+Na]+ 248.04487 156.6
[M+NH4]+ 243.08947 153.7
[M+K]+ 264.01881 151.1
[M-H]- 224.04837 149.3
[M+Na-2H]- 246.03032 150.9
[M]+ 225.05510 148.4
[M]- 225.05620 148.4
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.