CID 43698584

2-chloro-n-[2-chloro-5-(1h-1,2,3,4-tetrazol-1-yl)phenyl]acetamide

Structural Information

Molecular Formula
C9H7Cl2N5O
SMILES
C1=CC(=C(C=C1N2C=NN=N2)NC(=O)CCl)Cl
InChI
InChI=1S/C9H7Cl2N5O/c10-4-9(17)13-8-3-6(1-2-7(8)11)16-5-12-14-15-16/h1-3,5H,4H2,(H,13,17)
InChIKey
IKNQBFJNQVMGPE-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.00278 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01006 154.1
[M+Na]+ 293.99200 164.5
[M-H]- 269.99550 155.2
[M+NH4]+ 289.03660 167.6
[M+K]+ 309.96594 158.9
[M+H-H2O]+ 254.00004 144.5
[M+HCOO]- 316.00098 165.8
[M+CH3COO]- 330.01663 165.2
[M+Na-2H]- 291.97745 158.6
[M]+ 271.00223 156.9
[M]- 271.00333 156.9
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.