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]+ 196.063596 138.9
[M+Na]+ 218.045538 151.3
[M-H]- 194.049044 139.8
[M+NH4]+ 213.090143 158.5
[M+K]+ 234.019478 146.4
[M+H-H2O]+ 178.053580 131.3
[M+HCOO]- 240.054521 156.7
[M+CH3COO]- 254.070171 152.7
[M+Na-2H]- 216.030986 146.4
[M]+ 195.05577142 143.7
[M]- 195.05686858 143.7
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.