CID 43247250

1-[4-chloro-2-(trifluoromethyl)phenyl]-5-(chloromethyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H5Cl2F3N4
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)N2C(=NN=N2)CCl
InChI
InChI=1S/C9H5Cl2F3N4/c10-4-8-15-16-17-18(8)7-2-1-5(11)3-6(7)9(12,13)14/h1-3H,4H2
InChIKey
CIAVLKCUJUVZTR-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.98434 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99162 155.0
[M+Na]+ 318.97356 167.7
[M-H]- 294.97706 152.5
[M+NH4]+ 314.01816 168.2
[M+K]+ 334.94750 160.8
[M+H-H2O]+ 278.98160 143.4
[M+HCOO]- 340.98254 161.4
[M+CH3COO]- 354.99819 197.5
[M+Na-2H]- 316.95901 158.3
[M]+ 295.98379 155.0
[M]- 295.98489 155.0
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.