CID 23548144

3,5-dichloro-n-hydroxybenzene-1-carbonimidoyl chloride

Structural Information

Molecular Formula
C7H4Cl3NO
SMILES
C1=C(C=C(C=C1Cl)Cl)/C(=N/O)/Cl
InChI
InChI=1S/C7H4Cl3NO/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,12H/b11-7-
InChIKey
MISZEFQJRDIUPL-XFFZJAGNSA-N
Compound name
(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.93585 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.94313 139.6
[M+Na]+ 245.92507 149.9
[M-H]- 221.92857 141.9
[M+NH4]+ 240.96967 159.1
[M+K]+ 261.89901 144.3
[M+H-H2O]+ 205.93311 136.8
[M+HCOO]- 267.93405 150.0
[M+CH3COO]- 281.94970 187.8
[M+Na-2H]- 243.91052 144.0
[M]+ 222.93530 141.9
[M]- 222.93640 141.9
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.