CID 75202656

1611444-06-4

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1=CC(=CC=C1NC2=NNN=C2)Cl
InChI
InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKey
IUTZKZLVPUPHDA-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2H-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

194.03592 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 137.6
[M+Na]+ 217.025138 147.0
[M-H]- 193.028644 139.1
[M+NH4]+ 212.069743 154.4
[M+K]+ 232.999078 141.6
[M+H-H2O]+ 177.033180 129.1
[M+HCOO]- 239.034121 155.5
[M+CH3COO]- 253.049771 150.0
[M+Na-2H]- 215.010586 145.0
[M]+ 194.03537142 136.5
[M]- 194.03646858 136.5
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