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 140.9
[M+Na]+ 269.92918 153.2
[M-H]- 245.93268 148.7
[M+NH4]+ 264.97378 163.2
[M+K]+ 285.90312 141.7
[M+H-H2O]+ 229.93722 141.5
[M+HCOO]- 291.93816 159.8
[M+CH3COO]- 305.95381 192.7
[M+Na-2H]- 267.91463 147.9
[M]+ 246.93941 161.8
[M]- 246.94051 161.8
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