CID 131357070

2,4,5-trifluorobenzoyl cyanide

Structural Information

Molecular Formula
C8H2F3NO
SMILES
C1=C(C(=CC(=C1F)F)F)C(=O)C#N
InChI
InChI=1S/C8H2F3NO/c9-5-2-7(11)6(10)1-4(5)8(13)3-12/h1-2H
InChIKey
JALNONZLPOOQBV-UHFFFAOYSA-N
Compound name
2,4,5-trifluorobenzoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.00885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01613 127.7
[M+Na]+ 207.99807 139.8
[M-H]- 184.00157 128.1
[M+NH4]+ 203.04267 145.8
[M+K]+ 223.97201 136.7
[M+H-H2O]+ 168.00611 113.8
[M+HCOO]- 230.00705 145.6
[M+CH3COO]- 244.02270 195.2
[M+Na-2H]- 205.98352 131.5
[M]+ 185.00830 120.1
[M]- 185.00940 120.1
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