CID 297546

2,3,5,6-tetrafluorobenzonitrile

Structural Information

Molecular Formula
C7HF4N
SMILES
C1=C(C(=C(C(=C1F)F)C#N)F)F
InChI
InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H
InChIKey
IOQMWOBRUDNEOA-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

995
Patents

175.00452 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.01180 120.5
[M+Na]+ 197.99374 133.8
[M-H]- 173.99724 120.1
[M+NH4]+ 193.03834 139.3
[M+K]+ 213.96768 130.4
[M+H-H2O]+ 158.00178 106.4
[M+HCOO]- 220.00272 138.3
[M+CH3COO]- 234.01837 194.4
[M+Na-2H]- 195.97919 125.0
[M]+ 175.00397 111.8
[M]- 175.00507 111.8
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