CID 7671

Formanilide

Structural Information

Molecular Formula
C7H7NO
SMILES
C1=CC=C(C=C1)NC=O
InChI
InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey
DYDNPESBYVVLBO-UHFFFAOYSA-N
Compound name
N-phenylformamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

54
References

40083
Patents

121.052765 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 120.4
[M+Na]+ 144.04198 128.1
[M-H]- 120.04549 124.3
[M+NH4]+ 139.08659 142.4
[M+K]+ 160.01592 126.6
[M+H-H2O]+ 104.05002 114.9
[M+HCOO]- 166.05097 147.1
[M+CH3COO]- 180.06662 171.2
[M+Na-2H]- 142.02743 130.1
[M]+ 121.05222 119.6
[M]- 121.05331 119.6
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