CID 10979904

4-bromo-2-iodo-1-methoxybenzene

Structural Information

Molecular Formula
C7H6BrIO
SMILES
COC1=C(C=C(C=C1)Br)I
InChI
InChI=1S/C7H6BrIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
CTPNHFOXNXLPCW-UHFFFAOYSA-N
Compound name
4-bromo-2-iodo-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

311.8647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.87198 141.5
[M+Na]+ 334.85392 147.3
[M-H]- 310.85742 141.5
[M+NH4]+ 329.89852 159.6
[M+K]+ 350.82786 143.1
[M+H-H2O]+ 294.86196 138.4
[M+HCOO]- 356.86290 159.1
[M+CH3COO]- 370.87855 191.2
[M+Na-2H]- 332.83937 138.3
[M]+ 311.86415 157.8
[M]- 311.86525 157.8
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