CID 15001645

1-hexyl-4-iodobenzene

Structural Information

Molecular Formula
C12H17I
SMILES
CCCCCCC1=CC=C(C=C1)I
InChI
InChI=1S/C12H17I/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3
InChIKey
QCTCAMDTUGSMJX-UHFFFAOYSA-N
Compound name
1-hexyl-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

288.0375 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04478 151.2
[M+Na]+ 311.02672 151.0
[M-H]- 287.03022 147.3
[M+NH4]+ 306.07132 166.5
[M+K]+ 327.00066 154.0
[M+H-H2O]+ 271.03476 141.6
[M+HCOO]- 333.03570 169.3
[M+CH3COO]- 347.05135 192.9
[M+Na-2H]- 309.01217 144.5
[M]+ 288.03695 150.0
[M]- 288.03805 150.0
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