CID 14835683

125873-34-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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 126.6
[M+Na]+ 170.03248 140.6
[M+NH4]+ 165.07708 134.5
[M+K]+ 186.00642 136.2
[M-H]- 146.03598 126.7
[M+Na-2H]- 168.01793 133.6
[M]+ 147.04271 128.5
[M]- 147.04381 128.5
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