CID 4615637

N-(4-bromophenyl)cyanoformamide

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC(=CC=C1NC(=O)C#N)Br
InChI
InChI=1S/C8H5BrN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,(H,11,12)
InChIKey
OFDVDYICRIKOTK-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-cyanoformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.95853 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 138.1
[M+Na]+ 246.94775 150.9
[M-H]- 222.95125 142.6
[M+NH4]+ 241.99235 157.2
[M+K]+ 262.92169 139.5
[M+H-H2O]+ 206.95579 130.8
[M+HCOO]- 268.95673 159.2
[M+CH3COO]- 282.97238 198.4
[M+Na-2H]- 244.93320 145.3
[M]+ 223.95798 149.0
[M]- 223.95908 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.