CID 24774052

2,3-difluoro-4-iodobenzaldehyde

Structural Information

Molecular Formula
C7H3F2IO
SMILES
C1=CC(=C(C(=C1C=O)F)F)I
InChI
InChI=1S/C7H3F2IO/c8-6-4(3-11)1-2-5(10)7(6)9/h1-3H
InChIKey
NQOUDZZHNAVUHU-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

267.91968 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92696 131.0
[M+Na]+ 290.90890 135.0
[M-H]- 266.91240 126.2
[M+NH4]+ 285.95350 147.5
[M+K]+ 306.88284 138.3
[M+H-H2O]+ 250.91694 121.0
[M+HCOO]- 312.91788 149.3
[M+CH3COO]- 326.93353 186.9
[M+Na-2H]- 288.89435 124.9
[M]+ 267.91913 127.5
[M]- 267.92023 127.5
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