CID 456745

2-chloro-n-(cyclopentylideneamino)benzamide

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
C1CCC(=NNC(=O)C2=CC=CC=C2Cl)C1
InChI
InChI=1S/C12H13ClN2O/c13-11-8-4-3-7-10(11)12(16)15-14-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2,(H,15,16)
InChIKey
DGXGOUXUMJPTEY-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyclopentylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 153.6
[M+Na]+ 259.06086 159.7
[M-H]- 235.06436 161.1
[M+NH4]+ 254.10546 173.6
[M+K]+ 275.03480 155.5
[M+H-H2O]+ 219.06890 146.9
[M+HCOO]- 281.06984 175.1
[M+CH3COO]- 295.08549 193.7
[M+Na-2H]- 257.04631 156.8
[M]+ 236.07109 152.0
[M]- 236.07219 152.0
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.