CID 14272150

3-bromoformanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

198.96329 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 130.6
[M+Na]+ 221.95251 142.2
[M-H]- 197.95601 137.1
[M+NH4]+ 216.99711 153.1
[M+K]+ 237.92645 131.3
[M+H-H2O]+ 181.96055 130.5
[M+HCOO]- 243.96149 154.5
[M+CH3COO]- 257.97714 182.9
[M+Na-2H]- 219.93796 140.3
[M]+ 198.96274 148.6
[M]- 198.96384 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