CID 388837

908072-81-1

Structural Information

Molecular Formula
C3H2ClN3O2
SMILES
C1(=NNN=C1Cl)C(=O)O
InChI
InChI=1S/C3H2ClN3O2/c4-2-1(3(8)9)5-7-6-2/h(H,8,9)(H,5,6,7)
InChIKey
RONLJTWPNUWVKD-UHFFFAOYSA-N
Compound name
5-chloro-2H-triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

146.98355 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99083 123.2
[M+Na]+ 169.97277 133.7
[M-H]- 145.97627 120.7
[M+NH4]+ 165.01737 141.7
[M+K]+ 185.94671 130.5
[M+H-H2O]+ 129.98081 117.0
[M+HCOO]- 191.98175 138.4
[M+CH3COO]- 205.99740 165.5
[M+Na-2H]- 167.95822 128.6
[M]+ 146.98300 122.9
[M]- 146.98410 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe