CID 71756005

1394041-32-7

Structural Information

Molecular Formula
C12H11ClFN5O
SMILES
C1CC1C2=NN=NN2C3=CC(=C(C=C3)F)NC(=O)CCl
InChI
InChI=1S/C12H11ClFN5O/c13-6-11(20)15-10-5-8(3-4-9(10)14)19-12(7-1-2-7)16-17-18-19/h3-5,7H,1-2,6H2,(H,15,20)
InChIKey
RBWISFJESDNPCC-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(5-cyclopropyltetrazol-1-yl)-2-fluorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06363 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07091 168.2
[M+Na]+ 318.05285 179.5
[M-H]- 294.05635 172.0
[M+NH4]+ 313.09745 175.7
[M+K]+ 334.02679 171.8
[M+H-H2O]+ 278.06089 157.3
[M+HCOO]- 340.06183 183.9
[M+CH3COO]- 354.07748 178.2
[M+Na-2H]- 316.03830 170.2
[M]+ 295.06308 171.2
[M]- 295.06418 171.2
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.