CID 11744790

4-formylbenzamide

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC(=CC=C1C=O)C(=O)N
InChI
InChI=1S/C8H7NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-5H,(H2,9,11)
InChIKey
QWDCXCRLPNMJIH-UHFFFAOYSA-N
Compound name
4-formylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

559
Patents

149.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 127.6
[M+Na]+ 172.036898 135.8
[M-H]- 148.040404 131.3
[M+NH4]+ 167.081503 148.3
[M+K]+ 188.010838 134.0
[M+H-H2O]+ 132.044940 122.0
[M+HCOO]- 194.045881 152.8
[M+CH3COO]- 208.061531 176.7
[M+Na-2H]- 170.022346 133.7
[M]+ 149.04713142 126.6
[M]- 149.04822858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe