CID 13047805

86405-09-6

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
C1=CC(=CC(=C1)Br)/C(=N/O)/Cl
InChI
InChI=1S/C7H5BrClNO/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H/b10-7-
InChIKey
PYTGMMRJSZMTOA-YFHOEESVSA-N
Compound name
(1Z)-3-bromo-N-hydroxybenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

literature stripe

Patent stripe

patents stripe