CID 16775238

926268-74-8

Structural Information

Molecular Formula
C9H7ClN4O3
SMILES
COC1=CC(=C(C=C1C(=O)O)Cl)N2C=NN=N2
InChI
InChI=1S/C9H7ClN4O3/c1-17-8-3-7(14-4-11-12-13-14)6(10)2-5(8)9(15)16/h2-4H,1H3,(H,15,16)
InChIKey
VQPHTYSHDMQOLI-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02794 149.8
[M+Na]+ 277.00988 161.0
[M-H]- 253.01338 150.9
[M+NH4]+ 272.05448 163.3
[M+K]+ 292.98382 157.0
[M+H-H2O]+ 237.01792 141.0
[M+HCOO]- 299.01886 164.7
[M+CH3COO]- 313.03451 189.1
[M+Na-2H]- 274.99533 153.5
[M]+ 254.02011 153.8
[M]- 254.02121 153.8
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.