CID 6370075

Fast red violet lb salt

Structural Information

Molecular Formula
C14H11ClN3O
SMILES
CC1=CC(=C(C=C1[N+]#N)Cl)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H10ClN3O/c1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10/h2-8H,1H3/p+1
InChIKey
QIVQGIPJQWJCKO-UHFFFAOYSA-O
Compound name
4-benzamido-5-chloro-2-methylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

842
Patents

272.05905 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06633 168.8
[M+Na]+ 295.04827 179.4
[M-H]- 271.05177 175.6
[M+NH4]+ 290.09287 183.8
[M+K]+ 311.02221 168.5
[M+H-H2O]+ 255.05631 157.8
[M+HCOO]- 317.05725 187.2
[M+CH3COO]- 331.07290 207.7
[M+Na-2H]- 293.03372 174.5
[M]+ 272.05850 164.9
[M]- 272.05960 164.9
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

patents stripe