CID 138991080

2309461-47-8

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CCN1C2=C(C=C(C=C2)CCl)N=N1
InChI
InChI=1S/C9H10ClN3/c1-2-13-9-4-3-7(6-10)5-8(9)11-12-13/h3-5H,2,6H2,1H3
InChIKey
GCACRLKYEUNRCZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-ethylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 138.1
[M+Na]+ 218.04554 153.8
[M+NH4]+ 213.09014 147.1
[M+K]+ 234.01948 147.5
[M-H]- 194.04904 139.4
[M+Na-2H]- 216.03099 145.6
[M]+ 195.05577 141.1
[M]- 195.05687 141.1
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

No patent data available for this compound.