CID 17474

N-(4-bromophenyl)formamide

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1=CC(=CC=C1NC=O)Br
InChI
InChI=1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)
InChIKey
PYHXNHQAVPSOKT-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

212
Patents

198.96329 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.970566 130.6
[M+Na]+ 221.952508 142.2
[M-H]- 197.956014 137.1
[M+NH4]+ 216.997113 153.1
[M+K]+ 237.926448 131.3
[M+H-H2O]+ 181.960550 130.5
[M+HCOO]- 243.961491 154.5
[M+CH3COO]- 257.977141 182.9
[M+Na-2H]- 219.937956 140.3
[M]+ 198.96274142 148.6
[M]- 198.96383858 148.6
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