CID 11600692

1h-1,2,3-benzotriazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC2=NNN=C2C=C1C=O
InChI
InChI=1S/C7H5N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-4H,(H,8,9,10)
InChIKey
GJBWJHRJXRTAIC-UHFFFAOYSA-N
Compound name
2H-benzotriazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

147.04326 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 125.8
[M+Na]+ 170.03248 137.5
[M-H]- 146.03598 125.9
[M+NH4]+ 165.07708 145.5
[M+K]+ 186.00642 133.8
[M+H-H2O]+ 130.04052 118.6
[M+HCOO]- 192.04146 148.2
[M+CH3COO]- 206.05711 140.0
[M+Na-2H]- 168.01793 135.4
[M]+ 147.04271 126.9
[M]- 147.04381 126.9
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