CID 71436731

4-bromo-n-hydroxybenzene-1-carbonimidoyl chloride

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
C1=CC(=CC=C1C(=NO)Cl)Br
InChI
InChI=1S/C7H5BrClNO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H
InChIKey
ZOPFQZFNZNMZEF-UHFFFAOYSA-N
Compound name
4-bromo-N-hydroxybenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

232.9243 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.931576 136.8
[M+Na]+ 255.913518 149.2
[M-H]- 231.917024 143.3
[M+NH4]+ 250.958123 158.9
[M+K]+ 271.887458 136.6
[M+H-H2O]+ 215.921560 137.6
[M+HCOO]- 277.922501 155.4
[M+CH3COO]- 291.938151 186.6
[M+Na-2H]- 253.898966 144.9
[M]+ 232.92375142 156.0
[M]- 232.92484858 156.0
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.