CID 62060737

1-[(2,4-dichlorophenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H7Cl2N3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(8(12)3-7)4-15-5-9(10(16)17)13-14-15/h1-3,5H,4H2,(H,16,17)
InChIKey
BOJOBFVDYCGLCW-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.99155 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.998826 152.9
[M+Na]+ 293.980768 164.1
[M-H]- 269.984274 154.4
[M+NH4]+ 289.025373 167.6
[M+K]+ 309.954708 158.2
[M+H-H2O]+ 253.988810 145.1
[M+HCOO]- 315.989751 163.5
[M+CH3COO]- 330.005401 191.5
[M+Na-2H]- 291.966216 155.3
[M]+ 270.99100142 156.4
[M]- 270.99209858 156.4
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