CID 11118457

Benzenediazonium, 2-(methoxycarbonyl)-, chloride (1:1)

Structural Information

Molecular Formula
C8H7N2O2
SMILES
COC(=O)C1=CC=CC=C1[N+]#N
InChI
InChI=1S/C8H7N2O2/c1-12-8(11)6-4-2-3-5-7(6)10-9/h2-5H,1H3/q+1
InChIKey
RIFBCJROYYDUNQ-UHFFFAOYSA-N
Compound name
2-methoxycarbonylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

163.05075 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05803 135.3
[M+Na]+ 186.03997 145.4
[M-H]- 162.04347 140.3
[M+NH4]+ 181.08457 154.0
[M+K]+ 202.01391 139.4
[M+H-H2O]+ 146.04801 125.2
[M+HCOO]- 208.04895 158.0
[M+CH3COO]- 222.06460 187.5
[M+Na-2H]- 184.02542 143.9
[M]+ 163.05020 131.2
[M]- 163.05130 131.2
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