CID 172060

67969-73-7

Structural Information

Molecular Formula
C16H12ClN3O3S
SMILES
C1=CC=C(C(=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)Cl
InChI
InChI=1S/C16H12ClN3O3S/c17-13-3-1-2-4-16(13)20-19-15-8-7-14(18)11-6-5-10(9-12(11)15)24(21,22)23/h1-9H,18H2,(H,21,22,23)
InChIKey
TWPWJABCQICZJD-UHFFFAOYSA-N
Compound name
5-amino-8-[(2-chlorophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.02878 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.03606 178.7
[M+Na]+ 384.01800 188.8
[M-H]- 360.02150 187.8
[M+NH4]+ 379.06260 193.4
[M+K]+ 399.99194 182.6
[M+H-H2O]+ 344.02604 171.5
[M+HCOO]- 406.02698 195.8
[M+CH3COO]- 420.04263 218.6
[M+Na-2H]- 382.00345 185.4
[M]+ 361.02823 183.7
[M]- 361.02933 183.7
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