CID 69882

Pentafluorobenzonitrile

Structural Information

Molecular Formula
C7F5N
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
InChIKey
YXWJGZQOGXGSSC-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1039
Patents

192.99509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00237 121.0
[M+Na]+ 215.98431 135.0
[M-H]- 191.98781 119.7
[M+NH4]+ 211.02891 139.3
[M+K]+ 231.95825 131.4
[M+H-H2O]+ 175.99235 106.3
[M+HCOO]- 237.99329 137.9
[M+CH3COO]- 252.00894 198.1
[M+Na-2H]- 213.96976 124.5
[M]+ 192.99454 111.5
[M]- 192.99564 111.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe