CID 21404054

1235712-88-5

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
CN(C1=CC=C(C=C1)Br)C(=O)Cl
InChI
InChI=1S/C8H7BrClNO/c1-11(8(10)12)7-4-2-6(9)3-5-7/h2-5H,1H3
InChIKey
NJBZDCFVUQMRSM-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

246.93996 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 139.7
[M+Na]+ 269.92918 143.7
[M+NH4]+ 264.97378 145.2
[M+K]+ 285.90312 143.5
[M-H]- 245.93268 141.1
[M+Na-2H]- 267.91463 144.2
[M]+ 246.93941 139.7
[M]- 246.94051 139.7
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

patents stripe