CID 123492

2-fluoro-4-iodotoluene

Structural Information

Molecular Formula
C7H6FI
SMILES
CC1=C(C=C(C=C1)I)F
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey
QZLWTFTXGKKCHZ-UHFFFAOYSA-N
Compound name
2-fluoro-4-iodo-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

560
Patents

235.94983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.957106 127.2
[M+Na]+ 258.939048 130.0
[M-H]- 234.942554 123.3
[M+NH4]+ 253.983653 144.8
[M+K]+ 274.912988 133.9
[M+H-H2O]+ 218.947090 118.1
[M+HCOO]- 280.948031 146.1
[M+CH3COO]- 294.963681 182.2
[M+Na-2H]- 256.924496 122.3
[M]+ 235.94928142 123.7
[M]- 235.95037858 123.7
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