CID 112761

4-chloro-2-(trifluoromethyl)benzenediazonium

Structural Information

Molecular Formula
C7H3ClF3N2
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)[N+]#N
InChI
InChI=1S/C7H3ClF3N2/c8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-3H/q+1
InChIKey
KBKJFUHYRGCSQJ-UHFFFAOYSA-N
Compound name
4-chloro-2-(trifluoromethyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.99368 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.000956 135.1
[M+Na]+ 229.982898 147.4
[M-H]- 205.986404 136.6
[M+NH4]+ 225.027503 153.2
[M+K]+ 245.956838 138.7
[M+H-H2O]+ 189.990940 124.4
[M+HCOO]- 251.991881 150.2
[M+CH3COO]- 266.007531 193.7
[M+Na-2H]- 227.968346 143.5
[M]+ 206.99313142 127.9
[M]- 206.99422858 127.9
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.