CID 43617239

1156373-88-4

Structural Information

Molecular Formula
C9H7ClN4O2
SMILES
CC1=NN=NN1C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C9H7ClN4O2/c1-5-11-12-13-14(5)8-4-6(9(15)16)2-3-7(8)10/h2-4H,1H3,(H,15,16)
InChIKey
SGCNXTKYPKYDMI-UHFFFAOYSA-N
Compound name
4-chloro-3-(5-methyltetrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.02576 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03304 148.2
[M+Na]+ 261.01498 162.3
[M+NH4]+ 256.05958 154.3
[M+K]+ 276.98892 159.0
[M-H]- 237.01848 148.4
[M+Na-2H]- 259.00043 154.9
[M]+ 238.02521 150.3
[M]- 238.02631 150.3
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.