CID 68809189

2,3-difluoro-4-iodobenzonitrile

Structural Information

Molecular Formula
C7H2F2IN
SMILES
C1=CC(=C(C(=C1C#N)F)F)I
InChI
InChI=1S/C7H2F2IN/c8-6-4(3-11)1-2-5(10)7(6)9/h1-2H
InChIKey
ZIVVROFCZFRQRM-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

264.92 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.92728 130.4
[M+Na]+ 287.90922 136.2
[M-H]- 263.91272 125.9
[M+NH4]+ 282.95382 145.2
[M+K]+ 303.88316 138.2
[M+H-H2O]+ 247.91726 114.8
[M+HCOO]- 309.91820 145.4
[M+CH3COO]- 323.93385 198.3
[M+Na-2H]- 285.89467 125.2
[M]+ 264.91945 121.8
[M]- 264.92055 121.8
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