CID 15501010

2-formylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3661
Patents

149.04768 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 127.6
[M+Na]+ 172.03690 135.8
[M-H]- 148.04040 131.3
[M+NH4]+ 167.08150 148.3
[M+K]+ 188.01084 134.0
[M+H-H2O]+ 132.04494 122.0
[M+HCOO]- 194.04588 152.8
[M+CH3COO]- 208.06153 176.7
[M+Na-2H]- 170.02235 133.7
[M]+ 149.04713 126.6
[M]- 149.04823 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