CID 110498

2-chloro-5-(trifluoromethyl)benzenediazonium

Structural Information

Molecular Formula
C7H3ClF3N2
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+]#N)Cl
InChI
InChI=1S/C7H3ClF3N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3H/q+1
InChIKey
PWJFCKDKNSZLNT-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

206.99368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.00096 135.1
[M+Na]+ 229.98290 147.4
[M-H]- 205.98640 136.6
[M+NH4]+ 225.02750 153.2
[M+K]+ 245.95684 138.7
[M+H-H2O]+ 189.99094 124.4
[M+HCOO]- 251.99188 150.2
[M+CH3COO]- 266.00753 193.7
[M+Na-2H]- 227.96835 143.5
[M]+ 206.99313 127.9
[M]- 206.99423 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

patents stripe