CID 18706296

195624-84-1

Structural Information

Molecular Formula
C8H6F3IO
SMILES
COC1=C(C=C(C=C1)C(F)(F)F)I
InChI
InChI=1S/C8H6F3IO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,1H3
InChIKey
UMUJZUDPHBABQX-UHFFFAOYSA-N
Compound name
2-iodo-1-methoxy-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

301.94156 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.94884 142.2
[M+Na]+ 324.93078 145.1
[M-H]- 300.93428 135.8
[M+NH4]+ 319.97538 157.2
[M+K]+ 340.90472 148.7
[M+H-H2O]+ 284.93882 131.2
[M+HCOO]- 346.93976 157.4
[M+CH3COO]- 360.95541 191.9
[M+Na-2H]- 322.91623 136.0
[M]+ 301.94101 137.5
[M]- 301.94211 137.5
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