CID 12903853

4-(1h-1,2,3-benzotriazol-1-yl)aniline

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC=C2C(=C1)N=NN2C3=CC=C(C=C3)N
InChI
InChI=1S/C12H10N4/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15-16/h1-8H,13H2
InChIKey
XGIXQEZHBIDXNZ-UHFFFAOYSA-N
Compound name
4-(benzotriazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

210.09055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.097826 143.6
[M+Na]+ 233.079768 154.8
[M-H]- 209.083274 147.9
[M+NH4]+ 228.124373 160.9
[M+K]+ 249.053708 149.4
[M+H-H2O]+ 193.087810 134.6
[M+HCOO]- 255.088751 167.2
[M+CH3COO]- 269.104401 156.9
[M+Na-2H]- 231.065216 152.3
[M]+ 210.09000142 143.8
[M]- 210.09109858 143.8
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