CID 124253656

5-chloro-1-[(4-methoxyphenyl)methyl]-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H9ClN4O
SMILES
COC1=CC=C(C=C1)CN2C(=NN=N2)Cl
InChI
InChI=1S/C9H9ClN4O/c1-15-8-4-2-7(3-5-8)6-14-9(10)11-12-13-14/h2-5H,6H2,1H3
InChIKey
LVWGMAHTEOVSID-UHFFFAOYSA-N
Compound name
5-chloro-1-[(4-methoxyphenyl)methyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0465 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05378 145.2
[M+Na]+ 247.03572 156.3
[M-H]- 223.03922 146.9
[M+NH4]+ 242.08032 160.7
[M+K]+ 263.00966 152.0
[M+H-H2O]+ 207.04376 135.7
[M+HCOO]- 269.04470 161.9
[M+CH3COO]- 283.06035 157.8
[M+Na-2H]- 245.02117 151.0
[M]+ 224.04595 149.1
[M]- 224.04705 149.1
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.