CID 20205328

2-(chloromethyl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C3H4ClN3
SMILES
C1=NN(N=C1)CCl
InChI
InChI=1S/C3H4ClN3/c4-3-7-5-1-2-6-7/h1-2H,3H2
InChIKey
PRGPKCHJKNCEOZ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

117.00938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.01666 117.5
[M+Na]+ 139.99860 130.6
[M+NH4]+ 135.04320 126.0
[M+K]+ 155.97254 126.1
[M-H]- 116.00210 117.5
[M+Na-2H]- 137.98405 124.6
[M]+ 117.00883 119.4
[M]- 117.00993 119.4
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