CID 3836324

1-fluoro-2-iodo-3-methylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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

No literature data available for this compound.

Patent stripe

patents stripe