CID 11805229

1h-benzotriazole, 1-hydroxy-, sodium salt

Structural Information

Molecular Formula
C6H4N3O
SMILES
C1=CC=C2C(=C1)N=NN2[O-]
InChI
InChI=1S/C6H4N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4H/q-1
InChIKey
VGZMHTGJWOPMTH-UHFFFAOYSA-N
Compound name
1-oxidobenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

106
References

20
Patents

134.03543 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04271 119.7
[M+Na]+ 157.02465 131.2
[M-H]- 133.02815 119.7
[M+NH4]+ 152.06925 139.9
[M+K]+ 172.99859 129.5
[M+H-H2O]+ 117.03269 114.7
[M+HCOO]- 179.03363 143.1
[M+CH3COO]- 193.04928 167.9
[M+Na-2H]- 155.01010 129.7
[M]+ 134.03488 120.3
[M]- 134.03598 120.3
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