CID 400

N-(2-formylphenyl)formamide

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC=C(C(=C1)C=O)NC=O
InChI
InChI=1S/C8H7NO2/c10-5-7-3-1-2-4-8(7)9-6-11/h1-6H,(H,9,11)
InChIKey
PVIMSPYDDGDCTG-UHFFFAOYSA-N
Compound name
N-(2-formylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

120
Patents

149.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 126.5
[M+Na]+ 172.03690 134.9
[M-H]- 148.04040 130.6
[M+NH4]+ 167.08150 147.5
[M+K]+ 188.01084 133.0
[M+H-H2O]+ 132.04494 120.8
[M+HCOO]- 194.04588 153.3
[M+CH3COO]- 208.06153 176.5
[M+Na-2H]- 170.02235 134.9
[M]+ 149.04713 127.1
[M]- 149.04823 127.1
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