CID 2774523

2-fluoro-6-iodotoluene

Structural Information

Molecular Formula
C7H6FI
SMILES
CC1=C(C=CC=C1I)F
InChI
InChI=1S/C7H6FI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
MSPXWJMFEVAKHQ-UHFFFAOYSA-N
Compound name
1-fluoro-3-iodo-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

235.94983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95711 127.2
[M+Na]+ 258.93905 130.0
[M-H]- 234.94255 123.3
[M+NH4]+ 253.98365 144.8
[M+K]+ 274.91299 133.9
[M+H-H2O]+ 218.94709 118.1
[M+HCOO]- 280.94803 146.1
[M+CH3COO]- 294.96368 182.2
[M+Na-2H]- 256.92450 122.3
[M]+ 235.94928 123.7
[M]- 235.95038 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

No literature data available for this compound.

Patent stripe

patents stripe