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 138.9
[M+Na]+ 218.04554 151.3
[M-H]- 194.04904 139.8
[M+NH4]+ 213.09014 158.5
[M+K]+ 234.01948 146.4
[M+H-H2O]+ 178.05358 131.3
[M+HCOO]- 240.05452 156.7
[M+CH3COO]- 254.07017 152.7
[M+Na-2H]- 216.03099 146.4
[M]+ 195.05577 143.7
[M]- 195.05687 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.