CID 2779316

7079-54-1

Structural Information

Molecular Formula
C7H6FIO
SMILES
COC1=C(C(=CC=C1)F)I
InChI
InChI=1S/C7H6FIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKey
CPTMVKLYWHEOMG-UHFFFAOYSA-N
Compound name
1-fluoro-2-iodo-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

251.94473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95201 132.1
[M+Na]+ 274.93395 134.8
[M-H]- 250.93745 128.2
[M+NH4]+ 269.97855 149.0
[M+K]+ 290.90789 139.2
[M+H-H2O]+ 234.94199 122.7
[M+HCOO]- 296.94293 151.1
[M+CH3COO]- 310.95858 184.0
[M+Na-2H]- 272.91940 127.0
[M]+ 251.94418 129.9
[M]- 251.94528 129.9
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