CID 21410031

5-chloro-1-methyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C3H4ClN3
SMILES
CN1C(=CN=N1)Cl
InChI
InChI=1S/C3H4ClN3/c1-7-3(4)2-5-6-7/h2H,1H3
InChIKey
BWTNBGBFTCWFTC-UHFFFAOYSA-N
Compound name
5-chloro-1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

117.00938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.01666 117.3
[M+Na]+ 139.99860 130.9
[M+NH4]+ 135.04320 125.9
[M+K]+ 155.97254 126.6
[M-H]- 116.00210 117.4
[M+Na-2H]- 137.98405 124.2
[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